data_2llu_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 2llu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.78 -24.28 67.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.098 0.475 . . . . 50.0 110.363 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -28.93 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.543 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.06 -30.2 31.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.321 0.489 . . . . 50.0 112.321 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.98 66.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.155 0.978 . . . . 25.0 108.887 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.1 -56.19 22.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.293 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -60.65 -26.77 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.694 0.627 . . . . 50.0 112.694 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.32 -34.11 76.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.194 0.521 . . . . 50.0 110.647 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -72.74 -38.0 67.55 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.296 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -38.05 88.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.51 -40.14 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -47.51 73.23 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 122.873 0.108 . . . . 50.0 111.09 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.89 -31.6 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.186 0.517 . . . . 50.0 111.795 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.85 -59.54 3.44 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.347 1.07 . . . . 50.0 110.218 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.31 -18.43 64.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.735 -1.575 . . . . 50.0 110.872 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.65 76.95 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -98.37 -12.42 21.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.757 -0.656 . . . . 50.0 112.463 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -64.99 155.78 33.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.704 1.742 . . . . 25.0 115.704 -171.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.35 40.39 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 114.564 -1.198 . . . . 25.0 112.283 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.95 -30.89 71.92 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.73 41.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.523 2.106 . . . . 50.0 115.379 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 -30.84 4.77 Favored Glycine 0 C--N 1.292 -1.894 0 CA-C-N 112.98 -1.918 . . . . 50.0 116.194 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.34 158.79 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.297 0.57 . . . . 25.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -71.33 -20.39 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -104.05 8.56 36.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.104 0.478 . . . . 50.0 111.671 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -128.15 147.25 50.55 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.07 0.938 . . . . 50.0 110.501 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -155.06 157.18 37.16 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 106.494 -1.669 . . . . 50.0 106.494 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.22 157.08 20.71 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.92 -0.712 . . . . 50.0 109.167 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -55.95 -41.71 75.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.331 . . . . 50.0 111.267 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -54.77 -38.64 67.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.919 1.081 . . . . 50.0 113.919 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -66.49 -40.3 89.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.354 0.597 . . . . 50.0 109.744 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.84 -38.22 85.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.519 . . . . 50.0 110.594 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.03 -33.66 76.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.194 -0.299 . . . . 50.0 110.194 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -77.15 -48.01 18.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.826 0.346 . . . . 25.0 110.438 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.13 -35.0 78.8 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.074 -0.651 . . . . 50.0 110.054 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.21 -44.77 96.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.543 -0.723 . . . . 50.0 110.846 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -76.97 -22.53 53.06 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.823 -0.751 . . . . 50.0 110.991 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -29.95 21.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.46 -36.73 13.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.178 -0.326 . . . . 50.0 110.773 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 -62.39 1.47 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.511 0.93 . . . . 50.0 113.511 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m 45.41 34.82 1.67 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.797 1.777 . . . . 50.0 115.797 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.77 -50.78 0.06 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-O 122.279 0.933 . . . . 50.0 113.074 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -13.01 61.37 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -26.01 68.38 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.504 -0.924 . . . . 50.0 108.504 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.29 -25.42 22.81 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.009 1.385 . . . . 25.0 109.434 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.28 -13.57 60.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.072 -1.422 . . . . 25.0 112.439 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.34 121.84 19.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -109.89 -20.37 12.78 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.238 -0.289 . . . . 50.0 111.704 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -81.5 94.71 6.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.182 0.515 . . . . 50.0 112.212 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.0 -36.28 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.752 -0.658 . . . . 50.0 111.494 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.08 -33.09 73.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 50.0 110.937 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -53.27 9.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.223 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.84 -35.42 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 C-N-CA 120.723 -0.391 . . . . 50.0 111.456 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.8 -44.77 96.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.485 -0.486 . . . . 50.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -72.67 -35.83 67.8 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 -175.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.57 -39.91 18.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.831 -0.622 . . . . 50.0 110.627 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmt -66.8 -36.45 82.42 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.042 -1.036 . . . . 50.0 110.86 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 7.4 pttt -77.55 -25.9 50.5 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.987 -0.685 . . . . 50.0 111.279 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.42 -48.47 72.68 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.393 -2.077 . . . . 50.0 105.393 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -29.43 70.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 50.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.99 -38.83 83.13 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.378 -0.826 . . . . 25.0 111.159 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.03 -26.82 23.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.111 0.481 . . . . 50.0 111.561 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -106.06 8.16 32.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.074 0.464 . . . . 50.0 112.246 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.43 -29.69 63.85 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.342 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.99 2.8 37.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.79 -176.72 38.27 Favored Glycine 0 N--CA 1.434 -1.5 0 N-CA-C 107.168 -2.373 . . . . 50.0 107.168 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -120.84 145.75 47.28 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 113.565 -1.317 . . . . 50.0 113.736 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.7 178.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.598 -1.183 . . . . 50.0 110.814 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -132.85 -174.09 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.574 0.349 . . . . 50.0 110.395 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -58.53 -40.85 84.1 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.872 0.693 . . . . 50.0 112.872 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -63.67 -38.87 92.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.05 -29.68 66.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.462 . . . . 50.0 110.911 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.38 -42.19 83.78 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.292 -0.88 . . . . 50.0 109.135 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -40.64 81.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.837 -0.619 . . . . 50.0 112.034 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.14 -26.48 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 120.879 -1.138 . . . . 50.0 110.291 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.02 -27.8 64.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 50.0 110.258 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -84.16 -29.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 118.654 -1.219 . . . . 50.0 108.748 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.65 -20.72 62.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.885 -0.509 . . . . 25.0 111.654 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.47 70.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.332 0.587 . . . . 25.0 109.63 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.14 -37.25 66.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.93 77.13 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.952 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.48 -33.89 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.102 -0.639 . . . . 50.0 109.747 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -23.42 65.48 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.599 -0.688 . . . . 25.0 110.365 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -92.48 -46.17 7.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.95 -34.09 9.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.9 -16.3 60.06 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.829 -0.544 . . . . 75.0 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -41.08 -17.29 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.824 2.157 . . . . 50.0 116.824 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 121.249 -0.907 . . . . 50.0 111.991 179.256 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 121.119 0.485 . . . . 25.0 110.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -74.17 -34.35 63.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 50.0 109.851 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -29.85 70.39 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.492 0.923 . . . . 50.0 113.492 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.99 -27.81 49.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.444 -0.785 . . . . 75.0 111.464 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -65.77 -22.26 66.57 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.76 -56.1 22.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.492 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.28 -26.0 67.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.48 -34.08 76.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 50.0 110.687 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -74.23 -38.52 63.5 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.146 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.74 -38.54 91.34 Favored 'General case' 0 C--O 1.205 -1.252 0 N-CA-C 108.437 -0.949 . . . . 50.0 108.437 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.59 -39.47 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.01 82.59 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.635 -0.257 . . . . 50.0 111.28 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.35 -28.47 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 112.966 0.728 . . . . 50.0 112.966 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.31 -61.61 1.77 Allowed 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 122.048 0.928 . . . . 50.0 109.801 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -14.72 63.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.852 -1.522 . . . . 50.0 111.907 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.26 80.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.319 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -112.9 5.76 17.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.744 0.646 . . . . 50.0 112.744 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -66.73 155.41 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.02 50.89 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.195 -0.911 . . . . 25.0 112.847 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -67.05 -19.44 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.742 0.306 . . . . 50.0 111.504 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.61 -27.27 29.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 50.0 110.825 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.76 -30.9 4.08 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 110.198 -1.161 . . . . 50.0 110.198 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -117.56 150.95 38.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -93.08 -16.09 25.36 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.34 7.03 17.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.379 1.085 . . . . 50.0 110.675 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -140.44 166.1 25.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.192 -1.822 . . . . 50.0 107.768 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mt -159.76 150.41 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.573 -0.899 . . . . 50.0 108.573 170.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -72.25 150.55 43.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.336 -0.616 . . . . 50.0 109.336 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -56.64 -42.24 78.52 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.597 0.221 . . . . 50.0 111.597 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -58.63 -37.0 74.96 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.017 0.747 . . . . 50.0 113.017 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.31 -37.53 87.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.827 0.822 . . . . 50.0 110.255 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.12 -36.87 84.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.599 -0.728 . . . . 50.0 110.101 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -64.73 -32.58 74.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.296 -0.261 . . . . 50.0 110.296 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -79.01 -46.02 19.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.95 -30.58 67.99 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.486 -0.759 . . . . 50.0 111.416 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.75 -0.594 . . . . 50.0 110.459 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.11 -22.45 39.12 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.356 -174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.0 -33.93 61.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.65 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -97.67 -45.17 6.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 114.573 1.323 . . . . 50.0 114.573 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -63.53 1.35 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.584 -0.735 . . . . 50.0 111.603 -172.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p 42.92 34.96 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.414 1.264 . . . . 50.0 114.414 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.44 -48.99 0.07 OUTLIER Glycine 0 C--O 1.221 -0.707 0 CA-C-O 121.398 0.443 . . . . 50.0 112.777 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -13.71 61.55 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.599 0.963 . . . . 50.0 113.599 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -22.04 66.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.311 -0.859 . . . . 50.0 109.4 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -99.81 -5.54 28.4 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.884 1.326 . . . . 25.0 109.106 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.25 -5.81 39.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.604 -1.18 . . . . 25.0 111.059 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -72.79 125.18 26.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.767 -0.827 . . . . 75.0 108.767 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -112.57 -24.88 9.43 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.395 -0.19 . . . . 50.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.56 90.07 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.684 -0.858 . . . . 50.0 108.684 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.78 -33.68 65.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.976 -0.556 . . . . 50.0 111.557 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.44 -39.01 85.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.447 -0.783 . . . . 50.0 110.648 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -56.11 20.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.51 -30.36 48.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 113.153 0.797 . . . . 50.0 113.153 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.03 -43.31 92.82 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.496 0.665 . . . . 50.0 109.646 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -73.39 -28.43 62.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.262 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -79.76 -40.33 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 122.504 0.322 . . . . 50.0 110.69 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.0 mtp -63.2 -44.55 95.03 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 121.314 -0.866 . . . . 50.0 109.922 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -68.96 -30.1 68.47 Favored 'General case' 0 C--O 1.205 -1.263 0 C-N-CA 120.211 -0.596 . . . . 50.0 110.849 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.95 -48.09 75.3 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.413 -1.699 . . . . 50.0 106.413 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -31.38 72.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 50.0 111.343 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.26 -33.22 71.34 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.766 -0.584 . . . . 25.0 112.089 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.25 -33.36 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.89 0.852 . . . . 50.0 111.26 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -104.88 6.3 33.64 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.845 -1.071 . . . . 50.0 113.808 -170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -32.54 65.94 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 114.564 0.585 . . . . 25.0 114.564 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -82.07 1.33 36.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.945 0.35 . . . . 25.0 111.945 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.4 -163.79 39.63 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 109.026 -1.63 . . . . 50.0 109.026 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -129.91 146.88 51.62 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.458 -0.871 . . . . 50.0 112.937 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -147.32 177.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.701 -0.681 . . . . 50.0 109.3 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -130.69 -174.17 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -57.02 -39.71 75.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.54 -42.11 95.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.061 -0.348 . . . . 50.0 110.061 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.41 -33.24 72.7 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.868 -0.733 . . . . 50.0 110.493 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.11 -42.49 93.92 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.66 -0.65 . . . . 50.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -28.22 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 O-C-N 121.815 -0.553 . . . . 50.0 111.397 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.41 -37.06 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.453 -0.943 . . . . 50.0 108.453 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.98 -35.29 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.6 -0.273 . . . . 50.0 111.229 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.43 -32.06 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 119.387 -0.925 . . . . 50.0 109.173 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.09 -20.65 63.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.954 -0.466 . . . . 25.0 111.694 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.32 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.32 -33.85 61.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -44.49 79.74 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.04 -33.53 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.395 -0.922 . . . . 50.0 109.84 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.53 64.64 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.891 -0.505 . . . . 25.0 110.846 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.29 -47.17 8.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.855 1.058 . . . . 50.0 113.855 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -103.35 -47.72 4.21 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -19.75 62.0 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 122.641 0.376 . . . . 75.0 110.879 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -41.03 -24.86 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 117.042 2.238 . . . . 50.0 117.042 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 CA--C 1.516 -0.328 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.44 -38.38 65.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.47 -28.97 70.33 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.603 1.335 . . . . 50.0 114.603 -174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.91 -25.97 56.52 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.836 -0.54 . . . . 50.0 111.307 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -75.3 -22.45 57.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -55.94 24.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -59.15 -25.78 64.19 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.386 0.884 . . . . 50.0 113.386 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -33.46 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.397 0.618 . . . . 50.0 110.762 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.7 p -74.91 -38.4 61.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.136 0.493 . . . . 25.0 111.02 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -37.15 85.99 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.95 -41.81 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -46.38 74.27 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.121 0.263 . . . . 50.0 111.217 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.37 -31.93 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -68.02 -57.37 6.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.19 0.995 . . . . 50.0 110.75 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -71.28 -14.73 62.32 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.236 -1.347 . . . . 50.0 111.415 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.57 81.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -99.06 -14.55 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.916 1.08 . . . . 50.0 113.916 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -62.3 162.97 9.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.66 -10.53 53.1 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 121.086 -0.578 . . . . 25.0 112.234 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -64.32 -34.14 77.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.272 0.558 . . . . 50.0 111.054 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -73.27 -25.72 60.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.631 -1.168 . . . . 50.0 112.393 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.59 -28.05 4.81 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.678 -0.969 . . . . 50.0 110.678 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -119.58 157.18 28.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -8.44 49.66 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 115.405 1.631 . . . . 25.0 115.405 -173.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -91.46 -9.5 44.32 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.388 1.089 . . . . 50.0 108.53 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -112.65 152.88 28.45 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.387 -1.733 . . . . 50.0 110.1 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD11 ' H ' ' A' ' 29' ' ' SER . 6.4 tp -147.61 169.28 19.96 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.098 -2.186 . . . . 50.0 105.098 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 76.2 p -95.36 157.33 15.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 118.723 0.692 . . . . 50.0 109.563 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.75 -46.4 90.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.249 -0.282 . . . . 50.0 111.322 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -54.89 -39.95 69.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.185 1.18 . . . . 50.0 114.185 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -62.3 -36.95 83.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 50.0 111.126 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.32 -37.13 86.06 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.527 -0.469 . . . . 50.0 110.695 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -67.23 -29.9 69.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 50.0 110.123 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.84 -45.7 16.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.672 -0.24 . . . . 25.0 111.372 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -29.63 67.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.76 -0.587 . . . . 50.0 110.735 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.76 -43.47 96.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.834 -0.541 . . . . 50.0 109.967 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -79.66 -22.37 43.6 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.01 -0.676 . . . . 50.0 111.234 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -27.15 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 25.0 111.802 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.66 -45.09 4.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 114.199 1.185 . . . . 50.0 114.199 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -64.8 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.672 -0.411 . . . . 50.0 111.466 -173.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p 40.25 36.19 0.31 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.11 1.522 . . . . 50.0 115.11 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.34 -50.21 0.07 OUTLIER Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.979 0.766 . . . . 50.0 112.853 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -16.29 62.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 113.566 0.95 . . . . 50.0 113.566 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -25.28 68.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.318 -0.855 . . . . 50.0 109.177 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.99 -23.91 22.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.958 1.361 . . . . 25.0 108.655 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.07 -13.64 59.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.1 -1.409 . . . . 25.0 112.686 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.68 135.09 54.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.676 -0.238 . . . . 50.0 110.675 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -122.02 -27.17 4.63 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.16 91.81 3.75 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -33.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.059 -0.518 . . . . 50.0 111.767 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.37 -39.05 78.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.61 -0.836 . . . . 50.0 110.472 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.79 61.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.666 0.746 . . . . 25.0 109.333 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.65 -34.4 67.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.594 -0.73 . . . . 50.0 111.621 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.01 -45.07 87.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.205 0.526 . . . . 50.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -72.78 -31.23 64.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.587 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -78.8 -42.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.02 0.128 . . . . 50.0 111.326 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.9 mmt -65.51 -39.19 91.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.47 -0.769 . . . . 50.0 111.909 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.72 -31.16 70.9 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 120.497 -0.481 . . . . 50.0 109.829 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.35 -40.98 42.08 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -32.4 73.35 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.343 -0.844 . . . . 50.0 109.963 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -40.29 88.36 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.754 -0.591 . . . . 25.0 112.437 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -32.59 36.93 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.037 0.922 . . . . 50.0 110.286 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 9.77 42.49 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.652 -1.158 . . . . 50.0 112.51 -173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.07 65.98 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 114.421 0.528 . . . . 25.0 114.421 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -82.12 6.24 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.928 0.364 . . . . 25.0 111.283 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.18 -164.67 40.03 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.724 -2.15 . . . . 50.0 107.724 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 3.7 pt-20 -131.64 162.65 29.89 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.129 -0.535 . . . . 50.0 111.686 -170.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -143.96 173.85 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.37 -1.286 . . . . 50.0 110.644 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -131.52 -174.1 3.31 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.235 -1.765 . . . . 50.0 106.235 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.0 -40.58 81.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.07 -38.21 87.73 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.176 -0.327 . . . . 50.0 110.737 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.17 -36.82 84.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.481 -0.762 . . . . 50.0 110.128 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -69.26 -41.06 77.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.353 -0.539 . . . . 50.0 110.158 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -33.65 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.831 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.56 -40.16 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.64 -34.75 78.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 50.0 112.327 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -75.03 -33.69 29.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.324 -0.95 . . . . 50.0 108.592 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.48 62.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.962 -0.461 . . . . 25.0 112.01 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.39 69.94 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.12 -37.3 61.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.295 -0.631 . . . . 50.0 109.295 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -46.21 76.6 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.798 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.43 -34.21 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.131 -0.628 . . . . 50.0 110.051 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.9 -27.91 61.28 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 121.041 -0.264 . . . . 25.0 110.359 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.7 -52.06 6.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.377 0.88 . . . . 50.0 113.377 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -106.03 -36.39 6.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.791 1.404 . . . . 25.0 114.791 -167.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -81.89 -16.62 50.03 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.906 -0.496 . . . . 75.0 110.254 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -41.07 -20.43 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 118.194 2.665 . . . . 50.0 118.194 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 C--N 1.311 -1.092 0 C-N-CA 123.246 0.618 . . . . 50.0 111.449 178.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.334 0.588 . . . . 25.0 110.553 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.93 -39.91 94.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.836 -0.54 . . . . 50.0 110.306 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -29.34 69.79 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.628 0.973 . . . . 50.0 113.628 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.18 -25.3 34.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.864 -0.735 . . . . 75.0 111.147 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -70.53 -21.93 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.26 -54.72 36.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.905 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -60.6 -24.9 65.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.92 0.711 . . . . 50.0 112.92 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.9 76.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.239 0.542 . . . . 50.0 110.198 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -73.63 -38.35 65.05 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.927 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -36.73 83.27 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.55 -42.47 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 50.0 109.193 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -46.12 70.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 123.279 0.362 . . . . 50.0 111.381 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 -32.01 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.754 0.65 . . . . 50.0 112.754 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -66.71 -56.77 9.06 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.419 1.104 . . . . 50.0 110.247 -175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.84 -15.65 61.16 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.908 -1.496 . . . . 50.0 112.229 -177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -36.31 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -101.8 -9.3 20.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.781 1.03 . . . . 50.0 113.781 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -61.91 156.91 19.67 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.789 0.662 . . . . 25.0 112.789 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.79 -11.14 49.46 Favored Glycine 0 C--O 1.223 -0.583 0 CA-C-N 115.712 -0.676 . . . . 25.0 113.277 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.76 -34.04 75.13 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.661 0.743 . . . . 50.0 110.754 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.58 -26.74 58.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.327 -1.306 . . . . 50.0 111.932 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.68 -30.66 4.15 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.453 -1.059 . . . . 50.0 110.453 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -113.52 154.06 27.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.64 0.733 . . . . 25.0 110.978 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -16.21 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -172.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -102.34 7.2 40.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.83 0.824 . . . . 50.0 109.719 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -131.15 157.73 42.39 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.021 -1.445 . . . . 50.0 108.789 -174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -156.65 144.71 19.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.043 -1.095 . . . . 50.0 108.043 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.62 151.9 43.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.944 0.402 . . . . 50.0 110.837 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -55.03 -46.36 75.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.983 -0.553 . . . . 50.0 111.117 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -57.99 -36.65 72.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.345 1.239 . . . . 50.0 114.345 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.44 -38.95 85.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.541 0.686 . . . . 50.0 109.861 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.4 -37.75 87.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 50.0 110.691 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.41 -35.3 79.96 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -74.78 -49.65 20.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.57 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.68 -30.39 70.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.675 -0.641 . . . . 50.0 110.974 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.11 -42.48 96.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.042 -0.411 . . . . 50.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.94 -22.47 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.755 -0.778 . . . . 50.0 109.981 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -36.08 60.5 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.658 0.599 . . . . 25.0 111.3 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -93.21 -45.29 7.93 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -60.47 2.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.847 -0.615 . . . . 50.0 111.432 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m 44.9 35.04 1.36 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.41 1.263 . . . . 50.0 114.41 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.49 -44.39 0.07 OUTLIER Glycine 0 C--O 1.224 -0.507 0 CA-C-O 121.689 0.605 . . . . 50.0 112.75 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -9.1 58.37 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.589 -0.948 . . . . 50.0 112.989 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -22.48 66.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 50.0 109.006 173.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -100.97 -36.97 8.83 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 122.888 1.328 . . . . 25.0 109.462 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.04 -16.57 63.17 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 114.632 -1.167 . . . . 25.0 111.174 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.85 135.71 52.96 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 125.879 1.671 . . . . 75.0 108.871 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -120.42 -26.42 5.4 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -77.39 91.71 3.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -33.62 61.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.68 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.97 -40.72 78.69 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.716 -0.794 . . . . 50.0 110.547 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.68 49.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.565 0.698 . . . . 25.0 109.585 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.21 -33.98 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.74 -0.664 . . . . 50.0 111.564 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.78 -49.9 74.49 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.33 -32.42 66.51 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.92 -40.43 26.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.395 -0.366 . . . . 50.0 110.516 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.2 mmt -68.38 -34.59 76.33 Favored 'General case' 0 CA--C 1.509 -0.601 0 O-C-N 121.018 -1.051 . . . . 50.0 111.75 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -77.05 -27.23 54.31 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 120.335 -0.546 . . . . 50.0 110.548 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.87 -47.36 78.17 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 105.091 -2.189 . . . . 50.0 105.091 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -29.21 70.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.864 -1.062 . . . . 50.0 112.257 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -39.66 78.34 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.561 -0.712 . . . . 25.0 110.957 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -85.81 -27.6 25.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.349 0.595 . . . . 50.0 111.261 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.05 7.65 34.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.761 -0.654 . . . . 50.0 112.591 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.3 -32.63 60.63 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 115.019 0.767 . . . . 25.0 115.019 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -79.58 -1.49 38.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.032 0.416 . . . . 25.0 111.665 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.72 37.06 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 109.744 -1.342 . . . . 50.0 109.744 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.35 147.69 52.4 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 113.618 0.97 . . . . 50.0 113.618 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -148.76 175.25 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.608 -0.724 . . . . 50.0 109.629 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.47 -174.16 3.15 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.136 -0.353 . . . . 50.0 110.24 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.76 -40.03 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.806 0.669 . . . . 50.0 112.806 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -67.77 -40.62 83.99 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.004 -0.435 . . . . 50.0 109.995 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.41 -32.77 73.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.582 -0.698 . . . . 50.0 110.134 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.63 -41.42 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.513 -0.742 . . . . 50.0 110.381 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -65.95 -26.89 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.774 -0.579 . . . . 50.0 111.061 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.15 -40.7 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.299 -0.41 . . . . 50.0 111.798 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.39 -33.33 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 119.589 -0.844 . . . . 50.0 109.499 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.7 60.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.35 70.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.685 -0.858 . . . . 25.0 108.685 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.64 -35.35 58.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.553 -0.536 . . . . 50.0 109.553 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 -46.79 75.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.738 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.63 -33.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.082 -0.647 . . . . 50.0 109.702 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.21 67.83 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 122.055 -0.403 . . . . 25.0 110.256 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.5 t -85.06 -51.65 6.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -100.96 -34.5 9.75 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -168.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -17.53 55.59 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 121.917 -0.489 . . . . 75.0 110.045 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -40.77 -24.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.663 2.468 . . . . 50.0 117.663 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--N 1.314 -0.956 0 C-N-CA 123.661 0.784 . . . . 50.0 112.342 176.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 120.476 0.179 . . . . 25.0 111.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -30.86 50.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 171.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -28.06 69.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.8 1.037 . . . . 50.0 113.8 -174.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.99 -27.48 49.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.73 -0.606 . . . . 50.0 111.028 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -70.23 -21.48 63.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.183 0.992 . . . . 25.0 109.291 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.36 30.61 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.441 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -60.42 -26.71 66.91 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.657 0.614 . . . . 50.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.59 -32.69 74.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.294 0.569 . . . . 50.0 110.684 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.9 p -74.91 -38.47 61.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.137 0.494 . . . . 25.0 111.04 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.78 -38.08 88.05 Favored 'General case' 0 C--O 1.207 -1.135 0 N-CA-C 107.8 -1.185 . . . . 50.0 107.8 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -60.56 -41.16 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -46.28 75.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.826 0.079 . . . . 50.0 111.164 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG23 ' HH ' ' A' ' 74' ' ' TYR . 28.2 m -84.58 -30.42 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 112.415 0.524 . . . . 50.0 112.415 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.73 -58.06 5.85 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.616 1.198 . . . . 50.0 110.724 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -70.62 -17.56 62.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 50.0 111.545 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.96 79.69 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.364 -0.534 . . . . 25.0 109.655 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -106.36 -3.9 20.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 55.5 m -62.15 156.5 21.55 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.349 1.611 . . . . 25.0 115.349 -172.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.62 50.27 Favored Glycine 0 C--O 1.223 -0.581 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.651 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -70.42 -32.2 69.72 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 122.37 -0.488 . . . . 50.0 111.148 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -26.4 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.8 -30.86 4.08 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-O 118.825 -0.986 . . . . 50.0 115.168 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -96.05 153.91 17.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 119.236 1.518 . . . . 25.0 111.35 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.65 -21.0 61.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.459 -1.246 . . . . 25.0 113.849 -173.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.59 13.96 23.66 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 122.88 0.472 . . . . 50.0 112.072 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -131.55 153.49 49.8 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 121.669 0.747 . . . . 50.0 109.476 -172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mt -152.44 161.39 42.67 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.486 -1.301 . . . . 50.0 107.486 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 p -85.08 154.01 22.33 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.28 -42.47 86.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.484 0.183 . . . . 50.0 110.955 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -58.87 -35.48 73.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.209 0.818 . . . . 50.0 113.209 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.11 -41.53 81.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.121 0.486 . . . . 50.0 109.799 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.624 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.13 -39.93 73.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.291 -0.413 . . . . 50.0 110.433 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -47.04 16.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -174.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.85 -30.81 71.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.311 -0.556 . . . . 50.0 110.317 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.47 -48.61 76.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 121.961 -0.462 . . . . 50.0 109.906 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.01 -25.0 47.7 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.588 -0.845 . . . . 50.0 111.528 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.74 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.191 -0.204 . . . . 25.0 110.77 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.45 -45.29 6.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 50.0 111.71 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -64.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.415 0.894 . . . . 50.0 113.415 -172.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m 45.57 33.83 1.5 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.577 1.325 . . . . 50.0 114.577 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.25 -50.96 0.06 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-O 122.008 0.782 . . . . 50.0 113.046 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -11.49 60.27 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -23.69 66.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 50.0 109.068 175.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.67 -30.52 16.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.647 1.213 . . . . 25.0 108.579 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.8 -7.99 44.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.144 -1.389 . . . . 25.0 113.646 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -72.09 120.92 18.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.165 -0.309 . . . . 50.0 110.165 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -113.21 -23.29 10.03 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.345 -0.222 . . . . 50.0 111.075 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -81.67 89.64 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.139 -1.06 . . . . 50.0 108.139 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.74 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.116 -0.493 . . . . 50.0 111.021 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.94 -33.02 73.87 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.764 -0.774 . . . . 50.0 111.248 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 -56.79 10.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.62 0.724 . . . . 25.0 109.416 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.8 -30.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 113.005 0.742 . . . . 50.0 113.005 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.099 0.476 . . . . 50.0 110.068 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -83.36 -32.15 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.432 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.72 -40.47 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.561 -0.29 . . . . 50.0 111.322 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.19 -36.18 79.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.129 -0.982 . . . . 50.0 110.323 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -27.21 63.11 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 119.798 -0.761 . . . . 50.0 110.697 176.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.79 -47.7 61.91 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 105.86 -1.904 . . . . 50.0 105.86 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.45 72.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.883 -1.053 . . . . 50.0 111.494 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.8 -38.11 82.89 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.92 -0.487 . . . . 25.0 111.99 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -82.08 -32.71 30.18 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.028 0.918 . . . . 50.0 111.041 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -103.8 8.49 37.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.536 -1.211 . . . . 50.0 113.47 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.2 63.0 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 113.995 0.358 . . . . 25.0 113.995 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.34 0.25 42.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.43 -164.74 40.5 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.848 -1.701 . . . . 50.0 108.848 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.67 149.09 51.57 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -172.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -148.36 175.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.732 -1.122 . . . . 50.0 110.533 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.63 -174.06 3.19 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.553 0.341 . . . . 50.0 110.428 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.89 -38.6 76.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.931 0.715 . . . . 50.0 112.931 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -67.06 -39.13 86.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.83 -0.543 . . . . 50.0 110.022 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.72 -31.59 70.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.519 -0.473 . . . . 50.0 110.033 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.406 ' HH ' HG23 ' A' ' 14' ' ' VAL . 17.6 t80 -68.46 -44.94 73.77 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.275 -0.891 . . . . 50.0 110.524 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.38 56.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 122.004 -0.435 . . . . 50.0 111.788 -176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -79.92 -28.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.494 -0.754 . . . . 50.0 110.01 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -29.32 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.965 -0.383 . . . . 50.0 109.965 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -84.76 -33.93 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 118.997 -1.081 . . . . 50.0 109.791 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.37 -20.7 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.757 -0.589 . . . . 25.0 111.64 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.98 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.409 0.624 . . . . 25.0 109.798 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.82 -34.61 60.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 50.0 109.443 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -44.28 79.77 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.713 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.36 -32.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 119.527 -0.869 . . . . 50.0 110.563 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.26 -24.34 62.16 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -87.06 -51.56 5.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.835 0.68 . . . . 50.0 112.835 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -103.51 -43.41 5.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.198 1.184 . . . . 25.0 114.198 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -20.73 64.74 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.847 -0.427 . . . . 75.0 109.847 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -40.96 -25.48 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 117.396 2.369 . . . . 50.0 117.396 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--N 1.315 -0.931 0 C-N-CA 123.232 0.613 . . . . 50.0 112.393 176.748 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.89 -34.48 76.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.812 0.815 . . . . 50.0 109.502 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.88 -30.01 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.21 -24.34 37.5 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.996 -0.682 . . . . 75.0 111.639 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -22.28 65.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.41 10.43 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.413 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ptp -60.12 -25.93 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.26 -32.98 74.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.535 0.683 . . . . 50.0 110.778 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -74.44 -38.22 63.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.435 -0.506 . . . . 25.0 111.122 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.31 86.45 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 108.361 -0.977 . . . . 50.0 108.361 175.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.44 -40.97 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.393 -0.595 . . . . 50.0 109.393 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -44.84 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.818 0.303 . . . . 50.0 111.818 -177.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.19 -29.38 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.16 -59.66 3.26 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 122.767 1.27 . . . . 50.0 111.192 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -68.89 -15.8 63.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.472 -1.695 . . . . 50.0 111.056 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.14 71.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.787 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -107.15 -3.58 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.079 1.511 . . . . 50.0 115.079 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.447 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 84.6 p -62.11 149.93 39.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -171.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.06 11.27 32.48 Favored Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.07 -0.968 . . . . 25.0 115.342 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.48 -23.64 60.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.225 1.012 . . . . 50.0 108.916 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -104.84 -16.21 14.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.499 -1.682 . . . . 50.0 112.579 -173.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 -7.19 9.17 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 117.922 1.929 . . . . 50.0 117.922 172.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.21 169.8 11.38 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.126 0.963 . . . . 25.0 113.123 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -23.26 27.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -116.75 14.66 15.33 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.508 0.929 . . . . 50.0 113.508 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -124.92 165.49 18.0 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.312 -2.107 . . . . 50.0 105.312 -175.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 1.8 mt -154.87 152.46 29.8 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.336 -0.987 . . . . 50.0 108.336 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 83.9 p -78.78 148.19 33.05 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -59.15 -39.08 81.3 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.225 -0.297 . . . . 50.0 111.391 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.85 -39.56 85.59 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.172 0.434 . . . . 50.0 112.172 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.49 -40.28 85.21 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.261 0.553 . . . . 50.0 110.195 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.37 -38.18 90.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 50.0 109.883 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -33.71 76.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.411 -0.359 . . . . 50.0 110.528 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -45.89 18.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.34 -29.34 68.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.751 -0.593 . . . . 50.0 110.094 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.89 -44.75 95.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.94 -0.392 . . . . 50.0 109.94 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.53 -23.32 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.716 -0.793 . . . . 50.0 111.002 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -31.9 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.706 0.289 . . . . 25.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -98.14 -44.93 6.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.652 0.982 . . . . 50.0 113.652 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.87 -65.41 1.01 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.171 -175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m 47.22 32.43 2.09 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.24 -53.75 0.08 OUTLIER Glycine 0 C--O 1.221 -0.685 0 C-N-CA 121.402 -0.427 . . . . 50.0 113.716 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.63 -22.31 63.48 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 113.509 0.929 . . . . 50.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -23.03 67.24 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.965 -1.016 . . . . 50.0 110.8 177.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.78 7.86 24.36 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.502 1.144 . . . . 25.0 109.303 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.01 12.41 19.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.703 -1.135 . . . . 25.0 110.479 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.21 128.74 33.88 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.077 -0.342 . . . . 75.0 110.077 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -109.79 -28.89 8.56 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.188 -0.32 . . . . 50.0 111.58 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -81.17 92.17 6.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.55 -34.14 67.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 CA-C-N 115.707 -0.679 . . . . 50.0 111.966 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.72 -38.98 80.61 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.417 -0.913 . . . . 50.0 110.686 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.06 46.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.771 . . . . 25.0 109.047 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.91 -32.44 54.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 115.723 -0.672 . . . . 50.0 112.35 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.14 -44.33 92.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.226 0.536 . . . . 50.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -72.71 -29.59 63.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.583 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -83.03 -39.89 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.9 mmt -67.57 -39.33 84.9 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.994 -1.066 . . . . 50.0 110.918 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -68.02 -28.66 67.6 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.708 -0.797 . . . . 50.0 109.728 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.3 -45.14 57.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.309 -1.367 . . . . 50.0 107.309 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -29.75 70.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.6 -0.727 . . . . 50.0 110.976 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.6 -38.4 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.08 0.467 . . . . 25.0 111.826 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.93 -35.29 38.01 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 122.155 0.978 . . . . 50.0 110.458 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -104.2 3.59 33.02 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 114.778 1.399 . . . . 50.0 114.778 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.23 -31.97 66.79 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.778 -0.249 . . . . 25.0 113.709 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -82.06 -2.28 51.32 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.86 -161.63 37.56 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 109.033 -1.627 . . . . 50.0 109.033 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.12 147.92 49.64 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 113.057 0.762 . . . . 50.0 113.057 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.02 -178.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.565 -1.198 . . . . 50.0 107.781 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -126.56 -174.21 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.162 0.437 . . . . 50.0 111.242 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.88 -41.35 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.113 0.412 . . . . 50.0 112.113 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -61.16 -41.93 97.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -32.28 72.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 50.0 111.197 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.592 0.71 . . . . 50.0 109.549 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.01 -37.28 76.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.038 -0.528 . . . . 50.0 111.383 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.03 -36.86 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.741 -0.837 . . . . 50.0 108.741 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.19 -37.27 86.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.546 -0.297 . . . . 50.0 111.68 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.66 -29.27 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 119.584 -0.847 . . . . 50.0 109.0 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -20.58 60.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.01 70.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.45 -35.65 60.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.693 -0.685 . . . . 50.0 109.435 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -67.08 -46.33 74.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.67 -35.98 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.098 -0.641 . . . . 50.0 109.629 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.8 61.13 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.485 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.71 -45.13 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.067 1.136 . . . . 50.0 114.067 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -109.31 -34.78 6.45 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.51 -16.03 50.21 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 122.216 -0.302 . . . . 75.0 111.581 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -40.76 -19.27 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 119.559 3.17 . . . . 50.0 119.559 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 121.545 -0.722 . . . . 50.0 110.933 -178.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.222 -0.383 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.47 -31.86 69.17 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.534 -0.866 . . . . 50.0 110.272 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -27.85 69.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.769 -0.65 . . . . 50.0 112.624 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.28 -28.85 42.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 117.897 0.317 . . . . 50.0 111.583 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -22.42 62.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 122.287 1.042 . . . . 25.0 108.552 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.26 -57.91 9.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.422 ' H ' ' HG2' ' A' ' 8' ' ' MET . 10.1 ptp -57.53 -26.07 60.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.015 1.117 . . . . 50.0 114.015 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.73 -32.28 73.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.636 0.731 . . . . 50.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.0 p -76.37 -37.54 57.07 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.986 -0.446 . . . . 25.0 111.051 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.35 80.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 175.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.39 -40.5 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -45.7 74.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.555 0.206 . . . . 50.0 111.555 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.32 -30.37 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.96 -55.5 14.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.168 0.985 . . . . 50.0 110.914 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -73.08 -14.39 61.39 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.146 -1.388 . . . . 50.0 111.557 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.61 75.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.2 -0.666 . . . . 25.0 109.2 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -109.99 -3.18 16.66 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.223 1.194 . . . . 50.0 114.223 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -68.71 161.25 28.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.383 -0.823 . . . . 25.0 110.702 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.1 -15.46 60.45 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.791 -0.719 . . . . 25.0 111.69 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -65.97 -27.94 68.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.656 -0.32 . . . . 50.0 110.217 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -74.32 -29.73 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.59 0.709 . . . . 50.0 110.687 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.55 -30.63 4.19 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.349 -1.1 . . . . 50.0 110.349 -175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.92 156.03 23.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.377 0.608 . . . . 25.0 110.376 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -16.44 52.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -109.76 5.86 23.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.563 0.697 . . . . 50.0 110.403 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.66 152.74 40.2 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.854 -1.066 . . . . 50.0 108.131 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 tp -156.17 148.72 23.74 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.244 -1.761 . . . . 50.0 106.244 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -74.33 152.85 39.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.862 0.363 . . . . 50.0 110.529 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -57.11 -44.11 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 50.0 110.474 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -59.36 -39.58 83.7 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.214 0.82 . . . . 50.0 113.214 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.84 -39.0 92.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.208 0.528 . . . . 50.0 109.873 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.28 -38.39 90.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.461 . . . . 50.0 110.432 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -65.92 -35.86 81.78 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.245 -0.28 . . . . 50.0 110.245 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.9 -42.91 47.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.08 -31.31 65.97 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.666 -0.646 . . . . 50.0 111.045 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.22 -44.21 97.07 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.779 -0.575 . . . . 50.0 110.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.28 -22.57 48.06 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.992 -0.683 . . . . 50.0 111.164 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -29.19 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -95.82 -45.4 6.99 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.743 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m 45.64 33.33 1.4 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.69 1.367 . . . . 50.0 114.69 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.84 -44.65 0.08 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-O 121.584 0.547 . . . . 50.0 112.952 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -10.73 59.73 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.414 -1.05 . . . . 50.0 113.412 -177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -22.73 66.37 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.726 -1.124 . . . . 50.0 109.141 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.79 -30.92 10.57 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 124.25 1.976 . . . . 25.0 110.775 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.67 -14.4 62.79 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 124.467 2.079 . . . . 25.0 116.312 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.49 146.82 51.61 Favored 'General case' 0 CA--C 1.482 -1.659 0 O-C-N 120.5 -1.375 . . . . 50.0 109.963 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.32 -32.29 2.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 113.416 -1.72 . . . . 50.0 114.286 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.44 93.83 3.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 50.0 110.414 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.52 -34.0 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.57 -0.741 . . . . 50.0 111.529 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.85 -39.37 79.94 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.581 -0.848 . . . . 50.0 110.616 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.19 58.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.513 0.673 . . . . 25.0 109.524 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.51 -33.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.908 -0.587 . . . . 50.0 111.64 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.91 -48.06 75.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.016 0.436 . . . . 50.0 110.277 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -69.16 -30.02 68.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 25.0 111.075 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.46 -44.17 21.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.739 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.194 -0.941 . . . . 50.0 110.868 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.72 -23.01 61.55 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.028 -0.669 . . . . 50.0 110.86 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -47.69 33.98 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 105.179 -2.156 . . . . 50.0 105.179 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -26.95 68.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.858 -1.064 . . . . 50.0 112.111 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -36.98 72.58 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.991 -0.684 . . . . 25.0 111.363 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.17 -28.77 22.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.526 0.679 . . . . 50.0 111.88 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -107.09 8.33 30.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.227 -0.897 . . . . 50.0 112.876 -172.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.99 -31.97 65.86 Favored Glycine 0 C--N 1.318 -0.428 0 N-CA-C 114.279 0.471 . . . . 25.0 114.279 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -87.46 9.74 19.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.86 -176.8 36.67 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 106.916 -2.473 . . . . 50.0 106.916 171.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -119.87 144.62 47.29 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.337 -1.432 . . . . 50.0 112.772 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.26 179.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.156 -0.929 . . . . 50.0 109.5 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.19 -174.11 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.183 -0.303 . . . . 50.0 110.183 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.09 -41.65 79.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.459 0.54 . . . . 50.0 112.459 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.06 -41.38 98.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.721 -0.474 . . . . 50.0 109.721 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.63 -31.75 71.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 50.0 111.273 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.93 -41.16 87.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.535 0.683 . . . . 50.0 109.318 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.53 -38.6 76.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.531 -0.759 . . . . 50.0 111.603 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.47 -37.82 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.56 -37.54 87.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.922 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.54 -31.23 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 119.508 -0.877 . . . . 50.0 109.261 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.18 -21.0 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.8 70.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -76.92 -35.24 57.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.881 -0.599 . . . . 50.0 109.695 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -65.8 -47.73 74.11 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.389 -0.369 . . . . 25.0 111.782 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.42 -33.81 64.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.245 -0.582 . . . . 50.0 109.532 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.16 -27.96 64.95 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 116.618 -0.264 . . . . 25.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.7 t -85.36 -51.27 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.503 0.668 . . . . 50.0 112.633 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -101.39 -49.5 4.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -168.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -70.21 -16.22 63.03 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 119.361 -0.352 . . . . 75.0 110.5 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -40.53 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 118.443 2.757 . . . . 50.0 118.443 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--N 1.315 -0.892 0 C-N-CA 123.881 0.872 . . . . 50.0 112.064 177.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.74 -29.25 69.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.615 0.721 . . . . 50.0 110.114 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -28.18 68.54 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.885 0.698 . . . . 50.0 112.885 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.77 -28.92 40.31 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.017 -0.673 . . . . 75.0 112.025 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -22.09 64.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.275 1.036 . . . . 25.0 109.449 177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.02 -58.77 6.07 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 114.948 -1.024 . . . . 25.0 112.302 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.7 ptp -57.13 -28.81 63.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.688 0.625 . . . . 50.0 112.688 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.91 -33.98 76.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 50.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -72.79 -37.94 67.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.546 -0.461 . . . . 25.0 111.083 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -37.05 83.39 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.53 -38.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.836 -0.802 . . . . 50.0 108.836 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.909 0.336 . . . . 50.0 111.909 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -85.77 -32.08 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.02 -57.23 6.49 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 122.443 1.116 . . . . 50.0 110.352 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.47 -14.19 62.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.803 -1.544 . . . . 50.0 111.238 -176.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.3 76.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -99.09 -13.93 19.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.05 0.759 . . . . 50.0 113.05 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.3 m -64.18 155.41 31.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.655 -0.653 . . . . 25.0 111.619 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.43 -20.47 30.09 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 111.648 -0.581 . . . . 25.0 111.648 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -64.74 -34.59 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.19 0.441 . . . . 50.0 112.19 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -105.62 41.74 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 124.981 2.324 . . . . 50.0 116.673 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.46 -30.7 9.12 Favored Glycine 0 C--N 1.286 -2.219 0 CA-C-N 112.653 -2.067 . . . . 50.0 114.193 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -143.93 164.88 29.31 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 121.855 0.836 . . . . 25.0 112.795 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -76.8 -15.5 59.71 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 125.76 1.624 . . . . 25.0 112.095 -170.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -110.24 6.52 22.65 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.212 1.006 . . . . 50.0 109.105 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -127.41 152.08 47.98 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.891 -1.504 . . . . 50.0 107.792 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.44 149.0 23.62 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 105.2 -2.148 . . . . 50.0 105.2 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.6 153.47 28.0 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.29 -0.564 . . . . 50.0 111.318 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -56.79 -40.42 75.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.901 -0.591 . . . . 50.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -55.33 -44.66 76.09 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.016 0.747 . . . . 50.0 113.016 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.18 -38.11 81.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.464 0.65 . . . . 50.0 110.203 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.31 -38.19 90.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 50.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.61 -32.81 74.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.356 . . . . 50.0 110.551 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -82.9 -39.78 21.06 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.84 -32.47 67.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.636 -0.665 . . . . 50.0 110.389 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.597 -0.689 . . . . 50.0 110.433 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.48 -22.36 51.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.411 -0.516 . . . . 50.0 111.043 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -31.65 22.51 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.22 -45.4 8.26 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.877 0.695 . . . . 50.0 112.877 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.26 -61.86 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.312 -0.404 . . . . 50.0 110.892 -174.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 46.24 34.7 2.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.459 1.281 . . . . 50.0 114.459 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.6 -43.3 0.08 OUTLIER Glycine 0 C--O 1.225 -0.428 0 CA-C-O 121.428 0.46 . . . . 50.0 112.531 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.85 -14.48 61.09 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.364 -1.08 . . . . 50.0 113.353 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -20.86 66.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.216 -0.902 . . . . 50.0 109.94 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.19 -26.01 13.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 123.489 1.614 . . . . 25.0 109.305 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.5 48.69 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.651 -1.159 . . . . 25.0 110.918 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.94 132.88 48.85 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 125.695 1.598 . . . . 75.0 109.278 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -116.35 -29.33 6.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.45 0.907 . . . . 50.0 113.45 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -76.68 92.91 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.21 0.528 . . . . 50.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.76 -35.76 74.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.954 -0.566 . . . . 50.0 110.929 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 19.1 t70 -67.41 -31.49 71.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 50.0 111.154 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -54.77 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.837 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.48 -32.54 58.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.23 0.456 . . . . 50.0 112.23 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.61 -44.33 86.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.292 0.568 . . . . 50.0 110.041 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.402 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 0.8 OUTLIER -68.97 -31.4 70.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.934 -177.502 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -77.52 -43.91 29.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.071 -0.513 . . . . 50.0 109.829 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.18 -40.73 96.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.472 -0.768 . . . . 50.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -71.58 -25.15 62.07 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 119.913 -0.715 . . . . 50.0 111.527 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.41 56.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 105.454 -2.054 . . . . 50.0 105.454 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -33.31 73.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.781 -1.1 . . . . 50.0 111.367 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.1 -33.64 74.91 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.717 -0.614 . . . . 25.0 112.356 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -86.64 -31.58 21.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.883 0.849 . . . . 50.0 111.807 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -103.47 4.58 36.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.977 -1.01 . . . . 50.0 113.527 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -30.82 73.82 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 116.055 -0.52 . . . . 25.0 113.64 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -0.98 48.67 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.72 -178.31 39.46 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 107.705 -2.158 . . . . 50.0 107.705 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -119.93 144.24 47.55 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 112.908 -1.646 . . . . 50.0 112.7 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -143.06 -179.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.94 -1.027 . . . . 50.0 109.144 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.42 -174.2 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 122.407 0.283 . . . . 50.0 110.578 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -57.34 -38.64 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.859 0.689 . . . . 50.0 112.859 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.261 0.553 . . . . 50.0 109.652 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.51 -32.0 69.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.478 . . . . 50.0 110.397 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -68.22 -44.43 75.75 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.296 -0.878 . . . . 50.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -31.53 52.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.031 -0.418 . . . . 50.0 111.912 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.48 -27.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 121.382 -0.823 . . . . 50.0 110.289 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -66.72 -29.95 70.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.644 -0.502 . . . . 50.0 109.644 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.43 -31.35 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 119.006 -1.077 . . . . 50.0 109.407 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.66 62.8 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.056 -0.403 . . . . 25.0 111.564 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.87 74.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.432 0.634 . . . . 25.0 109.454 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 31.3 mt -75.74 -34.0 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -45.2 78.29 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.729 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.66 -32.3 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 119.587 -0.845 . . . . 50.0 110.299 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.36 -26.53 63.77 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 122.144 -0.347 . . . . 25.0 110.364 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.41 -51.07 6.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -105.15 -38.39 6.57 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -170.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -20.33 62.21 Favored 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.941 -0.763 . . . . 75.0 108.941 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -20.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.612 1.708 . . . . 50.0 115.612 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 123.878 0.871 . . . . 50.0 112.717 173.029 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 121.339 0.59 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.94 -32.39 40.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 50.0 110.308 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -33.69 73.69 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 113.325 0.861 . . . . 50.0 113.325 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.45 -28.81 56.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -66.06 -23.08 66.47 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 121.86 0.838 . . . . 25.0 109.932 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.17 29.63 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 114.789 -1.096 . . . . 25.0 113.846 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.3 ptp -61.23 -24.72 66.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 50.0 112.795 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.14 -33.45 75.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.17 0.51 . . . . 50.0 110.246 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p -76.17 -38.76 56.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 25.0 111.535 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.43 87.35 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.195 -1.039 . . . . 50.0 108.195 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.34 -39.52 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -46.17 73.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.922 0.139 . . . . 50.0 111.037 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.53 -30.28 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 112.532 0.567 . . . . 50.0 112.532 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.98 -58.6 5.17 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.46 1.124 . . . . 50.0 111.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.16 -14.59 62.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.171 -1.377 . . . . 50.0 111.17 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.81 79.79 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.489 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -103.65 -10.32 18.48 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.957 1.095 . . . . 50.0 113.957 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -58.65 141.89 51.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.91 8.32 26.11 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.032 0.773 . . . . 25.0 115.032 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.27 -29.66 64.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.349 1.071 . . . . 50.0 110.371 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.601 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.6 pm0 -95.34 -16.91 22.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.058 -1.883 . . . . 50.0 110.692 -175.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.45 -7.77 7.47 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 117.105 1.602 . . . . 50.0 117.105 173.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -137.74 133.87 34.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.547 1.173 . . . . 25.0 112.486 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -72.45 -18.4 61.7 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.675 -0.641 . . . . 25.0 111.803 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -82.35 -2.06 51.7 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.89 0.852 . . . . 50.0 111.552 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -130.55 170.97 13.55 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 113.907 -1.497 . . . . 50.0 109.808 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -154.57 143.57 21.02 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 168.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 97.4 p -67.64 148.51 51.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.46 -44.91 89.43 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.176 0.444 . . . . 50.0 111.217 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -55.05 -40.43 70.28 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 50.0 111.609 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.56 -37.79 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.986 -0.552 . . . . 50.0 110.875 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -35.25 79.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.492 -0.322 . . . . 50.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.66 -40.36 20.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.74 -29.66 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.451 -0.781 . . . . 50.0 110.167 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.25 -43.59 94.42 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.071 -0.393 . . . . 50.0 110.103 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -80.12 -22.78 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.606 -0.683 . . . . 50.0 110.977 -175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.58 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.754 0.279 . . . . 25.0 111.754 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.18 -45.12 6.01 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.876 0.695 . . . . 50.0 112.876 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -58.84 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 50.0 111.754 -174.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.92 24.57 0.37 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.845 1.794 . . . . 50.0 115.845 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.77 -56.33 0.11 Allowed Glycine 0 C--O 1.228 -0.269 0 CA-C-O 121.76 0.644 . . . . 50.0 112.828 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.39 -21.59 62.84 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -27.18 66.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.219 -0.9 . . . . 50.0 110.12 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.84 -25.67 14.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.717 1.246 . . . . 25.0 109.492 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.53 -9.86 51.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.348 -1.296 . . . . 25.0 112.306 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.85 140.84 58.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 122.64 0.376 . . . . 50.0 111.652 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -123.15 -20.89 5.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.262 0.467 . . . . 50.0 112.262 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.93 96.15 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.147 0.499 . . . . 50.0 110.086 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.66 -34.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.065 0.546 . . . . 50.0 112.37 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.63 -35.66 73.04 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.117 -1.033 . . . . 50.0 109.899 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.67 50.5 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.472 -0.491 . . . . 25.0 109.85 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.4 -34.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.841 -0.344 . . . . 50.0 111.287 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -65.88 -42.6 90.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.971 0.415 . . . . 50.0 110.797 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -78.84 -28.84 44.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.5 t -80.91 -42.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 122.064 0.146 . . . . 50.0 110.784 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.24 -0.984 . . . . 50.0 109.57 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -20.69 63.95 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.19 -0.604 . . . . 50.0 111.777 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -78.42 -50.57 11.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.162 -1.792 . . . . 50.0 106.162 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -30.62 71.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.459 -0.792 . . . . 50.0 111.122 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.88 -36.86 83.25 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.922 -0.486 . . . . 25.0 112.271 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -84.38 -32.08 24.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.945 0.878 . . . . 50.0 111.747 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -105.28 2.09 28.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.41 -1.268 . . . . 50.0 113.999 -169.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.35 63.91 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.541 0.577 . . . . 25.0 114.541 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.28 -9.41 58.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.837 0.318 . . . . 25.0 111.266 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.69 -161.2 37.09 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-O 122.663 1.146 . . . . 50.0 110.549 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 8.1 pt-20 -137.55 153.54 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.333 1.234 . . . . 50.0 114.333 -173.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.53 -178.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.413 -1.267 . . . . 50.0 108.367 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -127.43 -174.11 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.825 0.284 . . . . 50.0 110.627 -174.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.06 -39.7 79.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.508 0.559 . . . . 50.0 112.508 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -65.79 -39.1 90.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.808 -0.558 . . . . 50.0 109.732 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -34.18 76.83 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.803 -0.759 . . . . 50.0 110.14 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.39 -43.02 82.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.918 -0.489 . . . . 50.0 110.931 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -30.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.045 -0.409 . . . . 50.0 111.394 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.58 -39.96 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.889 -0.782 . . . . 50.0 108.889 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.95 -34.56 77.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.433 -0.349 . . . . 50.0 111.76 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.09 -34.89 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 119.393 -0.923 . . . . 50.0 109.509 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.63 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.979 -0.451 . . . . 25.0 111.826 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.82 74.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.16 -36.71 69.39 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.967 -0.753 . . . . 50.0 108.967 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -47.5 71.8 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.694 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.12 -33.56 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.05 -0.66 . . . . 50.0 110.381 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -33.97 62.65 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.562 -0.455 . . . . 25.0 109.878 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.17 -48.16 16.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -105.27 -46.35 4.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.314 21.4 m120 -73.56 -16.5 61.26 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 124.962 1.305 . . . . 75.0 112.919 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -47.69 -15.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.801 2.149 . . . . 50.0 116.801 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 CA--C 1.558 1.251 0 CA-C-O 121.945 0.879 . . . . 50.0 110.163 176.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.581 0.705 . . . . 25.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.86 -38.96 69.99 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.342 -0.849 . . . . 50.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -31.42 72.61 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 113.917 1.08 . . . . 50.0 113.917 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.34 -30.14 60.17 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 112.634 0.605 . . . . 75.0 112.634 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -70.29 -22.76 62.82 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -54.26 34.64 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.7 ptp -59.74 -26.11 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.319 0.859 . . . . 50.0 113.319 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.01 -32.61 74.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.424 0.631 . . . . 50.0 110.845 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -77.75 -35.38 51.87 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.379 -0.528 . . . . 25.0 111.216 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.61 -35.76 81.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.4 -39.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 50.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.21 74.8 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 123.295 0.372 . . . . 50.0 111.754 -176.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -86.82 -29.13 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.46 -58.75 3.85 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 122.594 1.187 . . . . 50.0 111.158 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.63 -14.11 62.35 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.834 -1.53 . . . . 50.0 111.049 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.22 75.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.036 -0.728 . . . . 25.0 109.036 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -107.57 -3.32 19.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.996 1.48 . . . . 50.0 114.996 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -61.51 154.79 23.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.39 9.66 52.75 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.343 0.897 . . . . 25.0 115.343 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -70.85 -29.46 65.6 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.567 1.175 . . . . 50.0 109.526 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.0 pm0 -98.01 -15.0 20.25 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.868 -1.969 . . . . 50.0 112.039 -174.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.13 7.74 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 117.439 1.735 . . . . 50.0 117.439 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.17 151.16 51.97 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.745 2.128 . . . . 25.0 116.745 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -26.87 68.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -175.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.37 9.2 23.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 111.95 0.352 . . . . 50.0 111.95 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.07 157.37 29.07 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 107.671 -1.233 . . . . 50.0 107.671 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 2.1 tp -147.95 141.12 25.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.371 -1.344 . . . . 50.0 107.371 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 79.2 p -70.44 146.43 50.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.788 -1.19 . . . . 50.0 107.788 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -56.11 -42.75 77.3 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -56.03 -38.12 70.11 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 113.237 0.829 . . . . 50.0 113.237 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.46 -40.12 77.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.375 0.607 . . . . 50.0 110.115 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.87 -38.26 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.75 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -60.01 -38.77 83.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.636 -0.256 . . . . 50.0 110.487 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -82.73 -41.25 19.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.41 -31.22 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.849 -0.74 . . . . 50.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -44.15 92.29 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.989 -0.444 . . . . 50.0 110.843 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.55 -22.61 43.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.584 -0.846 . . . . 50.0 111.172 -173.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -31.11 56.29 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.174 0.296 . . . . 25.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -96.96 -44.56 6.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.304 0.853 . . . . 50.0 113.304 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -66.53 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.63 -0.714 . . . . 50.0 110.803 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.86 30.37 1.2 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.826 1.417 . . . . 50.0 114.826 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.96 -56.96 0.08 OUTLIER Glycine 0 C--O 1.224 -0.496 0 CA-C-O 122.057 0.809 . . . . 50.0 113.468 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -26.97 66.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.304 -0.862 . . . . 50.0 109.598 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.59 -23.23 17.73 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.661 1.22 . . . . 25.0 109.419 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 -12.35 60.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.494 -1.23 . . . . 25.0 111.867 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.88 141.42 58.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.661 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -123.08 -23.86 4.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -74.7 95.49 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 50.0 110.891 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.88 -34.74 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.223 0.453 . . . . 50.0 112.223 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.37 -37.01 74.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.234 -0.986 . . . . 50.0 110.123 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.62 -50.21 53.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.57 -36.11 75.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.667 -0.413 . . . . 50.0 110.404 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.48 -46.98 74.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.991 0.424 . . . . 50.0 111.031 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -76.96 -24.79 52.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -86.18 -40.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 122.53 0.332 . . . . 50.0 110.614 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.8 mmm -62.96 -41.36 99.51 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.361 -0.936 . . . . 50.0 108.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -72.51 -24.57 61.17 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.532 0.567 . . . . 50.0 112.532 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -70.92 -46.79 61.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 105.716 -1.957 . . . . 50.0 105.716 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -32.85 74.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.614 -1.176 . . . . 50.0 110.4 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.96 -34.3 77.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -85.34 -32.31 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.904 0.859 . . . . 50.0 111.477 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -103.68 3.67 34.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.912 -1.04 . . . . 50.0 113.1 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.09 -31.41 72.83 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.004 0.761 . . . . 25.0 115.004 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -80.46 -1.13 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.735 0.303 . . . . 25.0 111.543 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.71 -160.46 36.57 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.921 -1.672 . . . . 50.0 108.921 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -142.69 148.18 36.91 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.875 1.065 . . . . 50.0 113.875 -174.018 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.49 -179.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.205 -1.361 . . . . 50.0 108.575 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -127.2 -174.26 3.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.404 0.547 . . . . 50.0 112.089 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -56.96 -41.95 79.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -62.94 -39.06 93.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -31.49 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.267 -0.573 . . . . 50.0 111.221 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -68.12 -40.49 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.739 -0.837 . . . . 50.0 108.739 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.7 t -59.09 -37.36 67.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.564 -0.743 . . . . 50.0 111.572 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.27 -38.53 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.74 -36.06 83.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.314 -0.403 . . . . 50.0 111.796 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.77 -32.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 119.469 -0.892 . . . . 50.0 109.133 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.09 -20.57 60.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.74 -36.78 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -43.85 78.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.199 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -68.27 -34.14 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.829 -0.748 . . . . 50.0 109.909 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.4 68.52 Favored 'General case' 0 C--O 1.207 -1.159 0 C-N-CA 119.826 -0.749 . . . . 25.0 109.378 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.61 -42.6 24.59 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.788 1.403 . . . . 50.0 114.788 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -112.67 -33.07 6.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -81.83 -21.16 37.77 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 113.233 0.827 . . . . 75.0 113.233 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -43.88 -15.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 118.135 2.642 . . . . 50.0 118.135 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 CA--C 1.539 0.529 0 O-C-N 121.987 -0.446 . . . . 50.0 111.411 177.358 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p . . . . . 0 C--O 1.218 -0.596 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -79.7 -18.79 50.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.287 0.565 . . . . 50.0 110.375 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -25.3 66.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.133 0.42 . . . . 50.0 112.133 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -31.18 44.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.242 0.544 . . . . 50.0 111.97 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -25.13 67.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.674 1.226 . . . . 25.0 108.105 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -57.91 9.84 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.41 -0.806 . . . . 25.0 112.488 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -59.26 -27.62 65.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.275 0.472 . . . . 50.0 112.275 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.09 -34.12 76.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 50.0 110.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' HG1' ' HB3' ' B' ' 7' ' ' ALA . 30.2 p -76.2 -36.42 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 111.584 -177.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.83 -37.57 88.07 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 108.875 -0.787 . . . . 50.0 108.875 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.69 -39.62 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.497 -0.927 . . . . 50.0 108.497 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -47.33 76.98 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 116.677 -0.238 . . . . 50.0 111.283 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -81.85 -31.55 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.0 -57.79 6.19 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 122.455 1.121 . . . . 50.0 109.838 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.918 -1.492 . . . . 50.0 111.197 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -98.08 -4.49 35.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.597 0.591 . . . . 50.0 112.597 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -67.83 156.29 37.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.8 41.8 Favored Glycine 0 C--O 1.223 -0.553 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.825 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -67.48 -27.96 67.45 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.585 -0.362 . . . . 50.0 110.405 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -77.97 -27.62 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.668 0.747 . . . . 50.0 110.784 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.6 -30.77 4.14 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.974 -1.25 . . . . 50.0 109.974 -175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -114.78 160.14 19.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.471 0.653 . . . . 25.0 109.98 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.82 -15.09 26.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.142 1.377 . . . . 25.0 112.087 -168.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -108.58 5.12 24.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.231 1.015 . . . . 50.0 108.803 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.79 157.15 43.62 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 105.916 -1.883 . . . . 50.0 105.916 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -155.16 160.21 40.74 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.075 -1.454 . . . . 50.0 107.075 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -82.32 152.2 26.39 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.152 -0.619 . . . . 50.0 109.333 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -58.28 -39.89 80.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.505 0.193 . . . . 50.0 111.137 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -59.21 -35.36 73.49 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.77 -39.83 76.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.525 0.679 . . . . 50.0 109.777 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.05 -38.33 90.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.411 -0.813 . . . . 50.0 110.665 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.07 -41.67 79.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.859 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -82.66 -39.43 22.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.71 -30.25 69.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.819 -0.753 . . . . 50.0 110.13 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.978 -0.451 . . . . 50.0 110.692 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.86 -22.56 36.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.084 -0.646 . . . . 50.0 110.348 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -36.39 55.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.99 -45.16 8.07 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 112.971 0.73 . . . . 50.0 112.971 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD21 ' H ' ' A' ' 44' ' ' PHE . 1.2 tt -85.49 -58.77 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 50.0 112.123 -172.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p 45.78 26.75 0.39 Allowed 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 117.063 2.246 . . . . 50.0 117.063 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' H ' HD21 ' A' ' 41' ' ' LEU . . . -130.74 -56.36 0.09 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.853 0.696 . . . . 50.0 113.405 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' H ' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -70.41 -17.79 63.02 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 114.108 1.151 . . . . 50.0 114.108 -174.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -25.83 68.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.987 -1.006 . . . . 50.0 109.392 175.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.09 -16.55 17.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 122.875 1.321 . . . . 25.0 109.489 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.02 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.649 -1.16 . . . . 25.0 110.802 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -67.83 129.72 40.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.416 -0.356 . . . . 50.0 111.195 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -115.61 -21.39 9.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.473 0.309 . . . . 50.0 111.452 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -75.65 97.87 3.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 50.0 110.998 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.15 -34.07 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.53 . . . . 50.0 111.965 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.4 -37.02 74.4 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.244 -0.982 . . . . 50.0 110.032 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -50.6 57.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.546 -0.538 . . . . 25.0 109.546 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.88 -35.75 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.468 -0.493 . . . . 50.0 110.76 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.64 -42.26 95.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.951 0.405 . . . . 50.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -79.66 -29.31 40.84 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.6 -40.38 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 122.094 0.158 . . . . 50.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtm -63.54 -41.88 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.264 -0.975 . . . . 50.0 109.56 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -72.54 -19.58 61.48 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.498 -0.481 . . . . 50.0 112.261 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -49.04 17.94 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 105.861 -1.903 . . . . 50.0 105.861 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -32.2 73.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.309 -0.86 . . . . 50.0 111.128 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -66.42 -34.46 78.01 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 121.765 -0.585 . . . . 25.0 112.126 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -85.69 -32.7 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.728 0.775 . . . . 50.0 112.104 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -106.67 4.56 27.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 50.0 113.595 -169.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.6 67.32 Favored Glycine 0 CA--C 1.508 -0.403 0 CA-C-N 116.46 -0.336 . . . . 25.0 113.661 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.08 2.48 39.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.75 -178.34 35.09 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 106.48 -2.648 . . . . 50.0 106.48 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 148.95 48.32 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 113.223 -1.489 . . . . 50.0 113.996 -169.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.49 -178.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 113.879 -1.51 . . . . 50.0 109.727 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -131.1 -174.13 3.3 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.118 -0.364 . . . . 50.0 110.919 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.01 -38.78 73.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.54 0.57 . . . . 50.0 112.54 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -66.37 -40.85 89.98 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 109.879 -0.415 . . . . 50.0 109.879 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.02 -31.55 70.44 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.593 -0.692 . . . . 50.0 110.462 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -67.73 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.671 -0.643 . . . . 50.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -28.41 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 121.873 -0.517 . . . . 50.0 111.227 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.57 -40.08 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.736 -0.838 . . . . 50.0 108.736 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.68 -34.26 77.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.53 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.41 -33.21 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 119.389 -0.924 . . . . 50.0 109.578 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -20.67 63.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.769 -0.582 . . . . 25.0 111.926 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.55 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.58 -37.18 71.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -45.39 76.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.773 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.91 -32.04 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.508 -0.877 . . . . 50.0 110.212 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.81 -25.45 59.04 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.626 -0.671 . . . . 25.0 110.511 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -84.09 -52.66 6.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.64 0.608 . . . . 50.0 112.64 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -104.55 -42.12 5.52 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -170.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 121.678 -0.639 . . . . 75.0 109.33 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.9 -21.9 0.16 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.575 1.694 . . . . 50.0 115.575 175.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' HB2' ' HH ' ' B' ' 26' ' ' TYR . 66.8 m-85 . . . . . 0 C--N 1.314 -0.957 0 CA-C-N 115.597 -0.729 . . . . 50.0 112.52 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 121.375 0.607 . . . . 25.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.38 -42.13 88.37 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.78 -0.575 . . . . 50.0 112.516 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -68.27 -28.47 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.616 0.969 . . . . 50.0 113.616 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.96 -30.59 31.64 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.873 -0.731 . . . . 75.0 111.702 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.9 m -67.63 -22.39 65.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.476 ' HB3' ' HG1' ' A' ' 10' ' ' THR . . . -53.24 -56.74 14.12 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.699 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.2 ptp -61.42 -24.16 66.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.97 -32.24 73.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.517 0.675 . . . . 50.0 110.626 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.8 p -75.08 -38.69 61.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.236 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -37.24 86.03 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.308 -0.997 . . . . 50.0 108.308 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.17 -42.01 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.589 -0.523 . . . . 50.0 109.589 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.7 77.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.617 0.228 . . . . 50.0 111.617 -176.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -85.49 -29.93 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -68.14 -59.51 3.18 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.134 0.969 . . . . 50.0 110.112 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.63 -19.08 65.69 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.093 -1.412 . . . . 50.0 110.991 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.67 91.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.383 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -105.43 -4.16 21.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.54 157.61 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.1 1.518 . . . . 25.0 115.1 -174.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.81 -8.65 31.91 Favored Glycine 0 CA--C 1.508 -0.35 0 CA-C-N 114.99 -1.004 . . . . 25.0 112.672 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.69 -38.04 86.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 110.018 -0.364 . . . . 50.0 110.018 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.27 41.76 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 125.267 2.461 . . . . 50.0 116.031 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 -30.74 6.66 Favored Glycine 0 C--N 1.286 -2.206 0 CA-C-N 112.141 -2.299 . . . . 50.0 115.248 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.09 157.2 46.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.315 1.055 . . . . 25.0 112.33 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -66.14 -16.33 63.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.489 1.515 . . . . 25.0 113.957 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.428 ' HH ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 m-85 -107.35 11.12 29.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.265 0.555 . . . . 50.0 110.284 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.32 149.24 52.1 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.396 -0.82 . . . . 50.0 109.771 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mt -154.41 157.28 38.25 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.3 p -76.27 156.47 33.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.334 -0.988 . . . . 50.0 108.334 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -58.15 -42.56 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.964 -0.294 . . . . 50.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -59.35 -38.75 81.17 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 112.813 0.671 . . . . 50.0 112.813 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.96 -36.19 83.14 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.332 0.586 . . . . 50.0 110.809 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.28 -38.34 87.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.546 . . . . 50.0 110.371 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 -34.13 76.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.934 -0.395 . . . . 50.0 109.934 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.62 -42.3 52.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.675 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.31 -30.81 62.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.728 -0.608 . . . . 50.0 110.952 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.34 -42.02 99.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.79 -0.569 . . . . 50.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.05 -22.29 45.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.553 -0.459 . . . . 50.0 110.602 -174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -32.32 44.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.438 0.461 . . . . 25.0 111.469 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -98.47 -45.13 6.23 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 114.09 1.144 . . . . 50.0 114.09 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.57 HD21 ' H ' ' B' ' 44' ' ' PHE . 1.5 tt -81.49 -59.03 2.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.062 -174.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 46.73 26.08 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.397 1.999 . . . . 50.0 116.397 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.78 -57.65 0.1 OUTLIER Glycine 0 C--O 1.226 -0.387 0 CA-C-O 121.937 0.743 . . . . 50.0 113.232 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.57 ' H ' HD21 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -68.2 -23.19 64.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.709 1.003 . . . . 50.0 113.709 -174.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -24.94 67.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.167 -0.924 . . . . 50.0 110.59 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.74 -19.63 14.67 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.723 1.249 . . . . 25.0 109.332 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.88 -2.54 37.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.491 -1.231 . . . . 25.0 112.051 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -70.75 143.52 51.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.775 0.321 . . . . 75.0 111.351 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -116.73 -27.21 6.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.609 0.364 . . . . 50.0 111.812 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -76.17 92.66 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 50.0 110.948 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.51 -35.07 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.012 0.375 . . . . 50.0 112.012 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.05 -38.16 75.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.282 -0.967 . . . . 50.0 109.939 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.45 59.01 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -64.41 -36.03 76.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.535 -0.466 . . . . 50.0 110.361 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.27 -48.43 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.895 0.379 . . . . 50.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -75.14 -28.99 60.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -86.68 -40.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.179 -0.464 . . . . 50.0 110.968 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.1 mtm -65.6 -33.42 75.86 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 118.918 -1.113 . . . . 50.0 110.077 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -75.95 -28.64 58.01 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 120.664 -0.414 . . . . 50.0 111.805 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.6 -48.6 66.35 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 106.29 -1.744 . . . . 50.0 106.29 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -30.15 71.35 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.891 -1.049 . . . . 50.0 110.796 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.62 -38.08 77.1 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.531 -0.731 . . . . 25.0 112.583 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.33 -31.39 26.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.721 0.772 . . . . 50.0 110.701 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -100.43 6.34 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.015 -0.993 . . . . 50.0 112.024 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.74 -26.76 67.31 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.745 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.65 2.95 35.01 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 123.899 0.411 . . . . 25.0 111.552 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.32 -179.1 34.11 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 107.861 -2.095 . . . . 50.0 107.861 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -117.52 141.22 48.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 112.9 -1.65 . . . . 50.0 114.471 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 m -148.16 -178.76 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.52 -1.218 . . . . 50.0 111.15 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -133.04 -174.16 3.4 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -171.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.29 -39.52 72.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.694 0.627 . . . . 50.0 112.694 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.6 -38.3 90.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.919 -0.4 . . . . 50.0 109.919 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.79 -38.5 91.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 50.0 110.154 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -63.69 -40.87 97.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 50.0 109.119 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -58.4 -38.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.204 -0.907 . . . . 50.0 112.025 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.17 -39.19 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.95 -35.4 79.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.478 0.547 . . . . 50.0 112.478 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -74.94 -33.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.315 -0.994 . . . . 50.0 108.315 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.2 -20.61 61.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.73 -35.02 75.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.08 -37.36 72.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -42.26 80.41 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.04 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.463 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.9 m -68.48 -34.94 68.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.192 -1.003 . . . . 50.0 110.044 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.9 60.21 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.71 -0.618 . . . . 25.0 110.343 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.63 -43.36 13.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.334 0.864 . . . . 50.0 113.334 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.98 -34.57 3.5 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.782 1.401 . . . . 25.0 114.782 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.463 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -69.17 -17.92 63.87 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 109.191 -0.67 . . . . 75.0 109.191 177.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -15.64 0.15 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.714 1.746 . . . . 50.0 115.714 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 123.149 0.58 . . . . 50.0 111.892 172.712 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.236 0.342 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.69 -46.79 89.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.758 0.651 . . . . 50.0 112.758 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.25 -32.73 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.778 1.029 . . . . 50.0 113.778 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.03 -23.09 36.1 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 119.921 -0.712 . . . . 50.0 111.464 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -74.4 -22.27 59.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.34 -57.24 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 ptp -60.94 -24.42 66.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.582 0.956 . . . . 50.0 113.582 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.0 -31.35 72.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.405 0.622 . . . . 50.0 110.082 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p -77.44 -37.65 51.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.085 -0.385 . . . . 25.0 111.182 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -37.07 86.35 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.17 -42.73 94.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -46.19 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.103 0.252 . . . . 50.0 111.282 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -84.67 -31.27 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 112.706 0.632 . . . . 50.0 112.706 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.94 -56.96 7.95 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.619 1.199 . . . . 50.0 110.613 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -70.85 -18.1 62.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.55 -1.659 . . . . 50.0 111.418 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.63 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.784 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.99 -5.96 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.653 0.983 . . . . 50.0 113.653 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -60.82 154.71 21.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 115.396 1.628 . . . . 25.0 115.396 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 6.07 49.83 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.454 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.28 -28.38 64.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.212 -0.581 . . . . 50.0 110.867 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -26.53 23.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.85 -30.87 4.06 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-O 118.792 -1.004 . . . . 50.0 115.58 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.05 156.38 16.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.401 1.6 . . . . 25.0 111.149 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.34 -21.74 58.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 -174.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.64 11.87 29.95 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.232 0.539 . . . . 50.0 111.728 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -132.77 154.74 49.95 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 -171.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mt -152.8 158.54 42.39 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 107.794 -1.187 . . . . 50.0 107.794 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -83.86 151.49 25.1 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.398 -0.964 . . . . 50.0 108.398 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -57.24 -40.06 76.82 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.951 0.352 . . . . 50.0 111.951 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -58.36 -34.33 70.56 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.143 0.794 . . . . 50.0 113.143 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -69.16 -38.98 79.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.052 0.453 . . . . 50.0 110.038 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.79 -37.95 89.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.555 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.87 -38.05 86.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 50.0 110.228 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -42.81 24.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -174.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.18 -30.88 70.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.568 . . . . 50.0 109.767 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.14 -45.18 89.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.772 -0.58 . . . . 50.0 109.793 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -78.09 -22.48 48.89 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.135 -0.626 . . . . 50.0 111.585 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 -27.16 40.89 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.79 -44.89 5.4 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.48 0.918 . . . . 50.0 113.48 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -61.03 1.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.848 -0.614 . . . . 50.0 110.799 -175.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.73 23.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.647 1.721 . . . . 50.0 115.647 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.69 -56.61 0.11 Allowed Glycine 0 C--O 1.226 -0.374 0 CA-C-O 121.848 0.693 . . . . 50.0 112.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -19.54 62.93 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 114.065 1.135 . . . . 50.0 114.065 -173.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -25.48 68.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.18 -0.918 . . . . 50.0 109.62 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -102.35 -18.56 15.36 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.731 1.253 . . . . 25.0 109.367 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.82 -12.62 61.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.73 -1.123 . . . . 25.0 110.419 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.42 133.51 52.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.643 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -117.83 -21.81 8.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.551 0.34 . . . . 50.0 111.411 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -74.52 97.21 3.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.42 0.629 . . . . 50.0 111.503 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.25 -34.24 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 50.0 112.062 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -70.34 -37.98 74.77 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.336 -0.946 . . . . 50.0 110.168 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.99 60.64 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.65 -35.88 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.467 -0.493 . . . . 50.0 110.709 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.25 -40.61 94.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.093 -0.379 . . . . 50.0 110.799 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -80.93 -31.36 35.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -81.53 -39.79 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 119.766 -0.159 . . . . 50.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 mtm -63.57 -42.78 98.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.42 -0.912 . . . . 50.0 110.062 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.38 -32.02 71.8 Favored 'General case' 0 C--O 1.204 -1.312 0 C-N-CA 120.158 -0.617 . . . . 50.0 111.134 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -48.48 71.68 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 107.19 -1.411 . . . . 50.0 107.19 -176.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -32.83 74.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.389 -0.823 . . . . 50.0 110.879 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.05 -35.12 76.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.61 -35.53 33.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.072 0.939 . . . . 50.0 110.907 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -103.55 6.28 37.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.306 1.224 . . . . 50.0 114.306 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.26 -32.44 67.75 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 114.801 0.68 . . . . 25.0 114.801 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -86.25 3.33 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.968 0.359 . . . . 25.0 111.968 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.54 -166.05 42.03 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 107.513 -2.235 . . . . 50.0 107.513 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -128.98 146.83 50.87 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.622 -0.789 . . . . 50.0 112.777 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.65 178.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.778 -1.101 . . . . 50.0 110.28 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -131.92 -174.22 3.36 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.562 0.345 . . . . 50.0 110.551 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.28 -41.62 76.18 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.16 -38.77 91.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.33 -31.18 69.46 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.242 -0.912 . . . . 50.0 110.744 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -40.59 85.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.611 0.719 . . . . 50.0 109.19 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -37.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.69 -0.686 . . . . 50.0 112.309 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.02 -41.24 81.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.367 -0.975 . . . . 50.0 108.367 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.26 -34.64 78.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.191 -0.913 . . . . 50.0 112.157 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.75 -34.16 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.307 -0.957 . . . . 50.0 109.085 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -20.7 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.941 -0.475 . . . . 25.0 111.542 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.76 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.61 -36.75 73.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.709 -0.849 . . . . 50.0 108.709 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -45.42 75.22 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.593 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.8 m -68.95 -32.62 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 119.648 -0.821 . . . . 50.0 110.792 -177.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.44 62.35 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.01 -0.431 . . . . 25.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.99 -51.83 6.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -101.9 -50.21 3.74 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.611 -169.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -61.25 -20.72 63.16 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.464 -0.334 . . . . 75.0 111.392 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -41.1 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 118.092 2.627 . . . . 50.0 118.092 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.4 t80 . . . . . 0 CA--C 1.556 1.189 0 O-C-N 121.507 -0.745 . . . . 50.0 111.759 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.224 0.535 . . . . 25.0 110.247 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.08 -38.87 92.16 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.551 -0.718 . . . . 50.0 109.487 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -28.34 68.58 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.26 0.837 . . . . 50.0 113.26 -175.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.14 -25.26 34.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.881 -0.728 . . . . 75.0 111.111 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.3 m -69.07 -22.25 64.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.13 -58.31 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 25.0 112.017 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -58.81 -27.53 65.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.28 -35.94 76.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.648 0.737 . . . . 50.0 110.817 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.6 p -73.63 -38.55 65.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.745 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -36.89 85.13 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.055 -0.72 . . . . 50.0 109.055 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.62 -40.97 90.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.259 -1.015 . . . . 50.0 108.259 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -45.05 79.29 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 123.442 0.464 . . . . 50.0 111.35 -175.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.2 -33.21 9.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.962 0 CA-C-O 123.848 1.785 . . . . 50.0 113.664 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.26 -56.17 7.43 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 122.789 1.281 . . . . 50.0 111.762 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -69.37 -17.16 63.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.976 -1.465 . . . . 50.0 110.178 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.88 81.43 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -101.68 -8.97 21.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.887 1.44 . . . . 50.0 114.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.6 m -63.45 161.82 13.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.91 -1.64 48.19 Favored Glycine 0 C--O 1.221 -0.664 0 CA-C-N 115.946 -0.57 . . . . 25.0 112.552 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -72.79 -28.4 62.56 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.297 -0.531 . . . . 50.0 112.285 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -26.69 37.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.215 -1.031 . . . . 50.0 108.215 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.79 -31.21 3.99 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.348 -0.842 . . . . 50.0 113.745 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -96.78 148.8 22.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.696 1.248 . . . . 25.0 110.405 171.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -16.4 61.97 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.45 6.64 30.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.13 0.491 . . . . 50.0 110.797 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -117.76 148.9 41.61 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 122.159 0.98 . . . . 50.0 110.335 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -149.15 150.24 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 106.863 -1.532 . . . . 50.0 106.863 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -79.6 153.08 29.69 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -57.28 -44.62 84.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 121.156 -0.218 . . . . 50.0 111.051 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.2 -38.91 71.62 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.965 1.098 . . . . 50.0 113.965 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.97 -36.46 82.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.431 0.634 . . . . 50.0 110.86 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.19 -36.07 82.42 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.677 -0.692 . . . . 50.0 110.619 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -63.95 -37.77 88.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.268 -0.271 . . . . 50.0 110.268 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.29 -42.64 44.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.678 -174.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.27 -31.9 68.06 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.87 -0.732 . . . . 50.0 109.816 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.19 95.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.752 -0.592 . . . . 50.0 110.249 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.52 -22.75 53.99 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.876 -0.73 . . . . 50.0 110.893 -174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.77 -32.6 25.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.99 -38.87 12.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.568 0.699 . . . . 50.0 112.227 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.48 -62.75 1.42 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.857 -0.611 . . . . 50.0 111.855 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m 46.92 33.4 2.21 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.894 1.442 . . . . 50.0 114.894 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.9 -47.54 0.07 OUTLIER Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.325 -0.464 . . . . 50.0 112.78 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -15.49 61.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -176.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.107 -0.952 . . . . 50.0 110.093 174.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -103.03 -28.49 11.96 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 123.452 1.596 . . . . 25.0 111.131 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.05 -22.23 61.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.801 -1.545 . . . . 25.0 113.774 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.91 133.5 51.03 Favored 'General case' 0 C--O 1.186 -2.246 0 C-N-CA 124.214 1.005 . . . . 75.0 110.465 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -116.89 -28.54 6.27 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 115.781 1.771 . . . . 50.0 115.781 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -76.09 91.22 3.1 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.917 -0.771 . . . . 50.0 108.917 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.48 -35.28 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.649 -0.705 . . . . 50.0 111.858 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -38.83 79.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.496 -0.882 . . . . 50.0 110.288 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.35 -52.15 55.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.349 0.595 . . . . 25.0 109.4 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -67.11 -33.88 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.996 -0.547 . . . . 50.0 111.615 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.46 -46.75 81.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.382 0.61 . . . . 50.0 110.281 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.58 -28.47 61.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.874 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -82.78 -41.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 122.435 0.294 . . . . 50.0 111.309 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.2 mmt -66.31 -39.12 89.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.047 -1.033 . . . . 50.0 109.976 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -70.53 -28.02 64.61 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 119.543 -0.863 . . . . 50.0 110.473 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -67.78 -46.97 70.47 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.889 -1.893 . . . . 50.0 105.889 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -33.6 74.67 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 114.826 -1.079 . . . . 50.0 110.703 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -69.99 -35.69 74.6 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 113.289 0.848 . . . . 25.0 113.289 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.17 -34.79 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.13 0.967 . . . . 50.0 110.502 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -100.67 6.85 44.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.507 -1.224 . . . . 50.0 112.934 -172.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.64 66.62 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 114.585 0.594 . . . . 25.0 114.585 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 0.63 31.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.715 0.265 . . . . 25.0 111.715 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.3 -159.6 34.18 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.974 -1.25 . . . . 50.0 109.974 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.07 151.33 51.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.291 -0.455 . . . . 50.0 112.125 -173.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.63 174.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 50.0 108.998 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.5 -174.22 3.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.455 -0.572 . . . . 50.0 109.455 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.54 -44.04 84.88 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -61.18 -41.81 97.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.01 -29.23 69.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.883 0.373 . . . . 50.0 111.263 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -69.04 -40.62 78.48 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.924 -0.71 . . . . 50.0 109.487 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.16 -36.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.14 -0.482 . . . . 50.0 110.122 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.99 -39.11 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.55 0.691 . . . . 50.0 109.405 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.55 -35.74 80.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.898 -0.592 . . . . 50.0 111.921 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.0 -30.19 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 119.362 -0.935 . . . . 50.0 109.277 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.86 61.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.516 0.674 . . . . 25.0 109.184 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.57 -35.37 46.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 50.0 109.887 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -46.4 76.59 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -64.51 -36.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.79 63.39 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.32 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.59 -49.77 9.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -106.91 -34.48 7.2 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -82.63 -16.04 49.83 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.791 -0.568 . . . . 75.0 110.253 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.9 -19.32 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 118.864 2.913 . . . . 50.0 118.864 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 C--N 1.316 -0.89 0 C-N-CA 123.337 0.655 . . . . 50.0 111.341 179.318 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 120.742 0.306 . . . . 25.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.03 -29.68 64.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.241 -1.022 . . . . 50.0 108.241 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -29.68 69.98 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.106 1.15 . . . . 50.0 114.106 -174.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.81 -23.64 36.38 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.481 -0.488 . . . . 50.0 111.976 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.455 -0.942 . . . . 25.0 108.455 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.89 -55.82 20.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.176 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptp -57.64 -25.76 60.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.021 1.119 . . . . 50.0 114.021 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.23 -31.31 72.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.581 0.705 . . . . 50.0 110.984 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 p -77.06 -37.55 54.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 25.0 111.171 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.36 80.51 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -60.59 -42.98 93.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 50.0 109.775 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.06 74.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.433 0.458 . . . . 50.0 111.495 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.83 -31.08 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.964 0.728 . . . . 50.0 112.964 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.88 -56.68 7.16 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.519 1.152 . . . . 50.0 110.421 -175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -71.91 -16.63 62.12 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.804 -1.544 . . . . 50.0 111.969 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.74 92.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.053 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -100.52 -7.43 24.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.029 0.752 . . . . 50.0 113.029 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 153.73 37.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.546 0.688 . . . . 25.0 110.634 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 -18.89 40.01 Favored Glycine 0 C--O 1.224 -0.502 0 C-N-CA 120.813 -0.708 . . . . 25.0 112.294 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.01 -25.85 68.03 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.507 -0.408 . . . . 50.0 111.29 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.45 -25.89 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.396 0.617 . . . . 50.0 111.114 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.48 -25.96 5.29 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.375 -0.69 . . . . 50.0 111.375 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -120.77 154.56 35.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.203 0.525 . . . . 25.0 110.66 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -8.43 57.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -171.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.93 6.92 25.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.464 -0.939 . . . . 50.0 108.464 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -128.99 154.79 46.27 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.295 -1.32 . . . . 50.0 109.433 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -158.35 141.81 15.18 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 p -72.67 149.15 44.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.553 -0.294 . . . . 50.0 111.148 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -54.17 -43.14 70.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.238 0.459 . . . . 50.0 112.238 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -56.4 -38.1 71.06 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.74 -39.25 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 50.0 109.822 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.08 -37.6 88.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.949 -0.568 . . . . 50.0 110.399 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.91 -30.91 71.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.549 0.214 . . . . 50.0 110.489 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.76 -46.25 13.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.642 -0.254 . . . . 25.0 111.389 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.34 -31.45 71.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.782 -0.574 . . . . 50.0 110.735 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.84 -42.75 99.86 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.059 -0.401 . . . . 50.0 109.955 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.84 -22.8 36.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.671 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -32.51 66.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.528 -0.306 . . . . 25.0 110.49 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.89 -45.13 6.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.273 1.212 . . . . 50.0 114.273 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -65.69 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.146 0.795 . . . . 50.0 113.146 -171.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m 42.68 35.64 0.72 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.574 1.324 . . . . 50.0 114.574 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.62 -52.23 0.06 OUTLIER Glycine 0 C--O 1.223 -0.541 0 CA-C-O 122.044 0.802 . . . . 50.0 112.809 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -13.68 61.36 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 113.916 1.08 . . . . 50.0 113.916 -175.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -24.04 67.38 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.192 -0.913 . . . . 50.0 108.952 176.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.19 -23.45 17.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.921 1.343 . . . . 25.0 109.061 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 -11.3 59.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.1 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.15 139.26 58.66 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.299 -0.25 . . . . 50.0 110.89 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -123.24 -30.61 3.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.292 -0.255 . . . . 50.0 111.273 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.26 87.83 4.94 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.8 -0.444 . . . . 50.0 109.8 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.84 -34.16 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 50.0 110.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.43 -30.93 70.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 50.0 111.144 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -56.36 4.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.132 0.491 . . . . 25.0 110.029 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.43 -32.81 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 112.444 0.535 . . . . 50.0 112.444 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.95 -44.85 88.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.21 0.528 . . . . 50.0 110.084 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -32.45 72.29 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.853 -176.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.83 -44.19 32.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 116.175 -0.466 . . . . 50.0 109.806 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.623 -0.673 . . . . 50.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -23.55 56.72 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.429 -0.508 . . . . 50.0 112.003 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -42.94 62.04 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.904 -1.888 . . . . 50.0 105.904 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -29.43 70.76 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.56 -1.2 . . . . 50.0 110.598 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.17 -33.28 74.17 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.29 -0.881 . . . . 25.0 111.504 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -87.27 -30.9 20.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.786 0.803 . . . . 50.0 111.84 -178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -109.53 5.79 23.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.719 -1.128 . . . . 50.0 112.854 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -30.15 71.16 Favored Glycine 0 CA--C 1.505 -0.553 0 CA-C-N 115.919 -0.582 . . . . 25.0 113.562 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.91 -0.84 41.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.09 -163.88 39.82 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.876 -1.29 . . . . 50.0 109.876 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -127.78 147.81 50.42 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.911 -1.145 . . . . 50.0 112.071 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.45 176.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.15 -174.12 3.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -56.42 -41.44 76.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.922 0.342 . . . . 50.0 111.922 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -61.62 -43.13 99.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.136 -0.32 . . . . 50.0 110.136 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.5 67.14 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.603 -0.439 . . . . 50.0 111.041 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -66.45 -40.81 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.458 -0.776 . . . . 50.0 109.295 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.07 -37.26 76.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.244 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.82 -37.35 73.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.35 -36.64 83.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.278 -0.419 . . . . 50.0 112.114 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.12 -30.96 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 119.501 -0.88 . . . . 50.0 108.689 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -20.59 62.34 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.78 69.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.84 -37.98 58.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 50.0 109.627 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -45.16 82.21 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.333 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.99 -30.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.168 -1.013 . . . . 50.0 110.738 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.36 -24.78 60.37 Favored 'General case' 0 C--O 1.197 -1.662 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -86.85 -51.37 6.11 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.273 0.842 . . . . 50.0 113.273 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -108.37 -49.41 3.19 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -169.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -20.1 65.1 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 118.979 -0.534 . . . . 75.0 111.514 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -41.34 -18.32 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.677 2.843 . . . . 50.0 118.677 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 123.878 0.871 . . . . 50.0 111.187 178.035 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.245 0.545 . . . . 25.0 110.294 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -37.07 86.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.311 0.577 . . . . 50.0 109.661 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.16 -31.33 72.11 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -175.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -81.8 -22.66 37.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.099 -0.64 . . . . 75.0 111.228 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -73.15 -22.03 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.39 44.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.59 . . . . 25.0 112.456 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.409 ' H ' ' HG2' ' B' ' 8' ' ' MET . 11.8 ptp -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.33 -35.99 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.447 0.641 . . . . 50.0 110.79 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -71.82 -38.87 70.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.145 0.498 . . . . 25.0 110.99 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.77 -36.7 84.29 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.71 -38.19 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.775 -0.824 . . . . 50.0 108.775 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -46.59 77.28 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.633 -0.258 . . . . 50.0 111.135 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.87 -29.04 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 112.739 0.644 . . . . 50.0 112.739 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.28 -57.0 5.89 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.271 1.034 . . . . 50.0 110.735 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -72.37 -15.07 61.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.98 -1.464 . . . . 50.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -117.91 7.42 12.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.227 1.195 . . . . 50.0 114.227 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -67.97 158.99 31.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.622 0.725 . . . . 25.0 109.582 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.32 63.01 Favored Glycine 0 CA--C 1.505 -0.589 0 C-N-CA 120.501 -0.857 . . . . 25.0 111.811 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.73 -22.32 63.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.628 -0.337 . . . . 50.0 110.426 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.72 -27.44 50.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.447 0.641 . . . . 50.0 110.071 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.63 -28.52 4.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.588 -0.733 . . . . 50.0 111.295 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -116.06 149.57 38.71 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.496 1.141 . . . . 25.0 113.059 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -26.73 67.44 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 126.621 1.968 . . . . 25.0 115.441 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -114.55 17.71 17.15 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 122.475 1.131 . . . . 50.0 110.441 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -133.92 154.91 50.75 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.456 -1.702 . . . . 50.0 109.306 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -156.33 142.68 18.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.613 -0.884 . . . . 50.0 108.613 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.1 p -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.752 0.31 . . . . 50.0 110.399 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -55.15 -44.44 75.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.497 -0.32 . . . . 50.0 111.524 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -58.75 -37.95 77.37 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 111.941 0.349 . . . . 50.0 111.941 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.06 -37.21 78.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.457 0.646 . . . . 50.0 110.528 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.79 -37.32 87.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.385 -0.825 . . . . 50.0 110.366 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.9 -35.7 79.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.77 -0.195 . . . . 50.0 110.82 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -79.31 -40.19 31.0 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.716 -0.394 . . . . 25.0 112.054 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.32 -31.69 69.11 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.417 -0.802 . . . . 50.0 109.731 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.59 -43.37 97.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.057 -0.402 . . . . 50.0 110.484 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.84 -22.69 45.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.994 -0.682 . . . . 50.0 111.016 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -32.03 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 25.0 111.21 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -97.29 -45.32 6.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -66.93 0.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.62 -0.718 . . . . 50.0 110.51 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 45.46 32.76 1.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.106 1.15 . . . . 50.0 114.106 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -52.32 0.06 OUTLIER Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.795 0.664 . . . . 50.0 112.845 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -13.81 61.65 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -175.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -23.56 67.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.313 -0.858 . . . . 50.0 109.405 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.93 -14.92 19.33 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.849 1.309 . . . . 25.0 109.24 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.69 -7.03 59.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.55 -1.205 . . . . 25.0 112.211 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.4 139.98 55.8 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.262 -0.274 . . . . 75.0 110.745 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -122.0 -31.85 3.82 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.237 -0.29 . . . . 50.0 110.872 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -78.05 93.8 4.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.815 -0.439 . . . . 50.0 109.815 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.07 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 50.0 111.713 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.35 -38.49 78.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.562 -0.855 . . . . 50.0 110.316 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -54.42 38.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.557 0.694 . . . . 25.0 109.356 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.82 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.63 -0.713 . . . . 50.0 111.97 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.48 -45.04 80.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 50.0 110.406 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -71.5 -27.82 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.42 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.3 -42.99 20.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.248 -0.433 . . . . 50.0 110.29 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.66 -38.64 89.89 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.361 -0.837 . . . . 50.0 110.555 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -22.28 61.48 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.934 -0.706 . . . . 50.0 110.975 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 -47.51 27.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.187 -2.153 . . . . 50.0 105.187 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -29.38 70.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 50.0 111.923 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -35.88 73.48 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.613 -0.68 . . . . 25.0 111.923 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -85.52 -31.0 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.852 0.834 . . . . 50.0 111.892 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -104.43 6.52 35.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.577 -1.192 . . . . 50.0 112.85 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.52 71.79 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.03 -0.532 . . . . 25.0 114.409 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.04 4.41 30.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.129 0.465 . . . . 25.0 111.636 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.01 -162.62 37.85 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 109.305 -1.518 . . . . 50.0 109.305 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.83 146.03 51.47 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.72 -0.74 . . . . 50.0 112.947 -172.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.29 176.84 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.779 -0.646 . . . . 50.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.67 -174.18 3.23 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.51 0.324 . . . . 50.0 110.434 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.23 -38.67 71.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.929 0.715 . . . . 50.0 112.929 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -67.48 -39.78 85.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.072 0.463 . . . . 50.0 109.885 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.26 -29.81 66.68 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.129 -0.629 . . . . 50.0 110.142 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.94 -44.32 69.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.183 -0.948 . . . . 50.0 110.482 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -31.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 122.026 -0.421 . . . . 50.0 111.95 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.31 -28.66 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 121.364 -0.835 . . . . 50.0 109.73 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.37 -27.93 68.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 50.0 110.16 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.26 -32.6 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 118.994 -1.082 . . . . 50.0 109.857 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.66 63.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.99 -0.444 . . . . 25.0 111.585 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 -32.46 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.42 0.629 . . . . 25.0 109.743 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.88 -35.05 62.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.382 -0.599 . . . . 50.0 109.382 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.54 77.99 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 112.211 0.449 . . . . 25.0 112.211 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.4 -33.55 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.108 -1.037 . . . . 50.0 110.279 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.39 65.28 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.948 -0.47 . . . . 25.0 109.749 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -81.53 -43.29 18.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.072 1.138 . . . . 50.0 114.072 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -114.38 -41.94 3.39 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -20.58 64.91 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 119.151 -0.452 . . . . 75.0 111.91 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -47.17 -15.64 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 117.052 2.241 . . . . 50.0 117.052 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 CA--C 1.544 0.723 0 O-C-N 121.845 -0.534 . . . . 50.0 111.623 174.356 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.54 -24.91 67.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.953 0.406 . . . . 50.0 110.181 172.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -31.27 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.08 0.77 . . . . 50.0 113.08 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -80.02 -23.82 41.2 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.312 0.577 . . . . 50.0 112.536 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.09 -20.76 59.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 122.275 1.036 . . . . 25.0 108.574 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.63 -56.36 17.92 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.266 1.209 . . . . 25.0 114.266 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -33.91 63.12 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.644 0.609 . . . . 50.0 112.644 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.268 0.627 . . . . 50.0 112.223 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.66 -38.12 67.73 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.883 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.02 -36.86 83.05 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 108.48 -0.934 . . . . 50.0 108.48 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.73 -39.12 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.676 -0.861 . . . . 50.0 108.676 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -46.58 77.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.403 0.149 . . . . 50.0 111.403 -178.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -83.29 -31.8 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 121.212 0.529 . . . . 50.0 112.215 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.14 -56.72 6.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.393 1.092 . . . . 50.0 111.162 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.83 -16.13 62.7 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.635 -1.62 . . . . 50.0 110.924 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.55 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -106.68 -1.96 22.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.093 1.146 . . . . 50.0 114.093 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p -66.76 161.44 23.61 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.65 62.78 Favored Glycine 0 N--CA 1.462 0.37 0 C-N-CA 120.978 -0.63 . . . . 25.0 113.823 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -68.8 -29.14 67.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.275 0.56 . . . . 50.0 111.408 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.91 0.13 27.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 50.0 110.906 -173.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.61 -25.99 5.24 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 118.194 2.037 . . . . 50.0 118.194 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -128.94 152.74 48.23 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.99 -28.51 68.32 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 113.955 -1.475 . . . . 25.0 114.455 -171.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -110.12 13.89 23.06 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.455 1.121 . . . . 50.0 110.368 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.35 162.91 29.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.787 -1.551 . . . . 50.0 107.814 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 ' H ' ' A' ' 29' ' ' SER . 2.8 tp -158.88 154.06 25.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.424 ' H ' HD11 ' A' ' 28' ' ' LEU . 81.5 p -79.32 149.67 31.68 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.09 -40.47 81.22 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.013 -0.43 . . . . 50.0 111.887 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -58.67 -38.45 78.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.275 0.843 . . . . 50.0 113.275 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.93 -40.13 79.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.31 -40.58 96.78 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.846 -0.615 . . . . 50.0 110.79 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.12 -38.39 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.011 0.434 . . . . 50.0 110.067 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.64 -44.83 40.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.166 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.72 -31.31 70.29 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.198 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.47 -41.98 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.884 -0.51 . . . . 50.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.06 -22.26 36.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.914 -0.714 . . . . 50.0 110.376 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.51 56.49 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.649 -0.25 . . . . 25.0 110.915 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.66 -45.01 8.27 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.739 1.015 . . . . 50.0 113.739 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 -63.33 1.32 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.829 -0.623 . . . . 50.0 111.365 -174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.8 t 46.09 29.81 0.85 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.199 1.555 . . . . 50.0 115.199 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.8 -55.19 0.09 OUTLIER Glycine 0 C--N 1.333 0.392 0 CA-C-O 121.555 0.531 . . . . 50.0 113.245 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 113.83 1.048 . . . . 50.0 113.83 -174.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -24.68 67.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.705 -1.134 . . . . 50.0 110.262 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -100.13 -19.81 16.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.546 1.165 . . . . 25.0 109.018 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.66 -13.51 61.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -63.47 138.98 58.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.455 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -123.52 -24.7 4.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.892 0.477 . . . . 50.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -73.54 100.94 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 50.0 111.909 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.06 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 123.357 0.663 . . . . 50.0 112.195 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.95 -39.72 75.89 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.321 -0.951 . . . . 50.0 110.391 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -50.0 64.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.66 -35.61 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.544 -0.463 . . . . 50.0 110.147 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.41 -43.35 85.97 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.238 -0.585 . . . . 50.0 111.289 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.23 -34.85 49.02 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.23 -39.33 28.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.764 -0.198 . . . . 50.0 110.796 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.14 -36.45 77.47 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 118.612 -1.235 . . . . 50.0 110.52 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -26.57 61.25 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.072 -0.651 . . . . 50.0 110.901 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -48.51 62.78 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.727 -1.582 . . . . 50.0 106.727 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -32.43 73.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.641 -0.709 . . . . 50.0 111.097 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.35 -38.18 87.03 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.002 -0.436 . . . . 25.0 111.616 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.15 -29.12 25.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.154 0.502 . . . . 50.0 111.249 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.43 5.38 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.81 1.041 . . . . 50.0 113.81 -171.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.08 -32.67 67.39 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 114.474 0.55 . . . . 25.0 114.474 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -80.84 -2.96 49.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.46 -169.61 46.09 Favored Glycine 0 N--CA 1.434 -1.482 0 N-CA-C 109.311 -1.516 . . . . 50.0 109.311 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.81 145.28 50.29 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 113.396 -1.402 . . . . 50.0 112.007 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.9 -179.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.439 -0.8 . . . . 50.0 109.517 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.23 -174.08 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.24 -0.281 . . . . 50.0 110.24 -174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -57.23 -40.98 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -63.9 -40.23 96.02 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.289 -0.634 . . . . 50.0 109.289 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.7 -36.18 78.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 50.0 110.864 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -64.02 -41.23 97.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.782 -0.574 . . . . 50.0 110.638 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -25.94 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.1 t -73.85 -41.22 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.418 -0.956 . . . . 50.0 108.418 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.75 -34.9 78.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.47 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -78.59 -33.68 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 119.693 -0.803 . . . . 50.0 109.927 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -20.55 61.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.948 -0.47 . . . . 25.0 111.388 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.52 0.676 . . . . 25.0 109.325 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -69.77 -37.41 76.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.79 -45.48 74.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.751 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.51 -32.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 119.808 -0.757 . . . . 50.0 110.783 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.2 -27.51 64.55 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 120.156 -0.618 . . . . 25.0 109.72 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.42 -53.21 6.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.929 0.715 . . . . 50.0 112.929 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -101.44 -38.23 8.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 -169.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -19.52 62.34 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 109.0 -0.741 . . . . 75.0 109.0 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -40.95 -25.39 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.877 2.177 . . . . 50.0 116.877 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.315 -0.929 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 176.576 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.032 0.444 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.64 -37.63 88.05 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.0 -22.44 39.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 119.321 -0.951 . . . . 75.0 111.697 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 m -69.84 -22.36 63.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.22 -58.72 6.09 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.76 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 118.122 0.419 . . . . 50.0 111.843 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.28 -35.53 71.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.492 . . . . 50.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.3 p -72.16 -40.25 68.12 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 25.0 110.931 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -37.93 87.52 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.8 -41.01 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -46.46 72.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.783 0.29 . . . . 50.0 111.783 -177.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.27 -30.78 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.07 -54.47 25.34 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.755 1.264 . . . . 50.0 110.34 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -68.41 -28.9 67.49 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 113.245 -1.798 . . . . 50.0 110.363 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.37 78.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 120.506 -0.477 . . . . 25.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -101.87 -1.11 32.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.816 0.673 . . . . 50.0 112.816 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -67.1 166.03 14.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.87 -10.73 64.31 Favored Glycine 0 C--O 1.222 -0.643 0 C-N-CA 120.745 -0.74 . . . . 25.0 112.848 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -61.12 -35.19 76.37 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-O 121.73 0.776 . . . . 50.0 110.842 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -75.53 -25.79 57.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.425 -1.261 . . . . 50.0 112.064 -176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -24.86 5.45 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 110.45 -1.06 . . . . 50.0 110.45 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -126.57 159.57 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -8.08 43.63 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.455 1.28 . . . . 25.0 114.455 -174.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -100.64 -7.14 24.22 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 108.048 -1.093 . . . . 50.0 108.048 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -115.57 155.73 27.06 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.391 -1.731 . . . . 50.0 106.984 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -159.66 148.62 17.83 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.676 -1.972 . . . . 50.0 105.676 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 81.0 p -73.89 151.73 40.37 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.568 -0.453 . . . . 50.0 110.253 -176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -57.94 -44.6 87.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.378 -0.201 . . . . 50.0 110.983 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -55.39 -40.42 71.36 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.54 -39.21 91.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.619 0.723 . . . . 50.0 110.144 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.74 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.814 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -67.11 -32.87 74.31 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.923 -0.311 . . . . 50.0 110.287 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -75.79 -46.66 29.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.463 0.171 . . . . 25.0 111.463 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.69 -31.73 71.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.671 -0.643 . . . . 50.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.812 -0.555 . . . . 50.0 110.701 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.08 -22.45 42.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.817 -0.753 . . . . 50.0 110.799 -174.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -34.25 40.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.664 0.268 . . . . 25.0 111.089 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -94.56 -45.1 7.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.015 1.117 . . . . 50.0 114.015 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.918 -0.583 . . . . 50.0 110.327 -176.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t 44.38 39.05 2.84 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.725 1.009 . . . . 50.0 113.725 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 -46.19 0.06 OUTLIER Glycine 0 C--O 1.222 -0.633 0 CA-C-O 121.507 0.504 . . . . 50.0 112.78 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -16.0 62.79 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.836 -0.803 . . . . 50.0 112.909 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -23.42 66.91 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.433 -0.803 . . . . 50.0 109.82 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.36 -13.6 23.12 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 123.251 1.5 . . . . 25.0 108.85 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.99 -5.49 56.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.203 -1.362 . . . . 25.0 112.077 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.84 123.84 24.19 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.177 -0.327 . . . . 75.0 110.309 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -110.64 -24.34 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.492 -0.13 . . . . 50.0 110.909 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -85.66 85.85 7.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.617 -0.883 . . . . 50.0 108.617 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.85 -33.44 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.847 -0.615 . . . . 50.0 110.907 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.93 -44.36 96.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.356 0.598 . . . . 50.0 110.6 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.81 24.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.997 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.9 m -67.98 -24.79 30.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.44 -45.17 63.33 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.477 -1.305 . . . . 50.0 107.477 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.72 -30.44 69.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.317 -1.31 . . . . 25.0 112.126 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -81.8 -42.15 19.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.917 -0.583 . . . . 50.0 110.702 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.34 -36.03 80.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 120.889 -1.132 . . . . 50.0 110.672 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -76.47 -19.91 57.54 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.565 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.45 -48.77 30.96 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 104.843 -2.28 . . . . 50.0 104.843 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -32.87 73.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.501 -1.227 . . . . 50.0 111.155 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -39.13 90.26 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.506 -0.746 . . . . 25.0 112.756 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -84.86 -29.38 25.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.693 0.759 . . . . 50.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -99.92 6.06 45.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.264 -0.88 . . . . 50.0 111.687 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.24 63.97 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.324 -0.398 . . . . 25.0 113.901 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.13 0.29 32.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.87 -167.69 34.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.596 -1.802 . . . . 50.0 108.596 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.14 153.69 49.12 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.704 1.001 . . . . 50.0 113.704 -170.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -146.7 179.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.641 -1.163 . . . . 50.0 107.991 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.7 -174.9 3.25 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.605 -0.517 . . . . 50.0 109.605 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.29 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.786 0.662 . . . . 50.0 112.786 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -63.76 -40.74 97.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.629 -0.508 . . . . 50.0 109.629 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.47 -30.43 70.14 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.26 -0.275 . . . . 50.0 110.601 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -67.93 -41.33 82.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.828 -0.804 . . . . 50.0 108.828 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.91 -37.32 76.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.542 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.37 -39.63 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.72 -36.53 84.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 50.0 111.99 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.83 -30.12 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.649 -0.82 . . . . 50.0 109.49 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.89 -20.67 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.952 -0.467 . . . . 25.0 111.948 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.2 71.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 173.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.38 -35.54 61.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.25 -0.648 . . . . 50.0 109.25 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.8 m -66.8 -44.0 82.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.0 m -68.2 -33.15 59.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.077 -1.049 . . . . 50.0 110.227 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.82 63.84 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 122.053 -0.404 . . . . 25.0 110.285 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.1 t -86.32 -43.18 13.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.346 1.239 . . . . 50.0 114.346 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -115.81 -34.6 4.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.404 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -73.21 -16.04 61.43 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.213 -0.305 . . . . 75.0 111.307 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -50.34 -15.71 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.375 1.991 . . . . 50.0 116.375 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 122.996 0.518 . . . . 50.0 111.757 174.364 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.276 0.56 . . . . 25.0 109.559 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -40.17 74.95 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.159 0.504 . . . . 50.0 109.806 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -34.48 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.472 0.915 . . . . 50.0 113.472 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.21 -27.76 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.548 -0.72 . . . . 50.0 110.395 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -77.12 -22.18 53.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.04 61.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 ptp -61.06 -26.39 67.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.075 0.768 . . . . 50.0 113.075 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.75 -33.48 76.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.319 0.58 . . . . 50.0 110.586 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.5 p -73.99 -37.94 64.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.306 0.574 . . . . 25.0 111.353 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.15 -37.52 87.65 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.24 -39.19 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -47.21 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.968 0.168 . . . . 50.0 111.264 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.4 -30.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 112.489 0.551 . . . . 50.0 112.489 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -67.04 -59.57 3.36 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.211 1.005 . . . . 50.0 109.9 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.47 -17.56 64.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.273 -1.33 . . . . 50.0 110.658 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.64 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.237 -0.585 . . . . 25.0 109.53 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.57 -15.3 22.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.927 0.714 . . . . 50.0 112.927 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.2 m -61.8 159.21 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.53 -7.71 56.17 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.077 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -63.82 -36.04 82.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.399 0.619 . . . . 50.0 109.952 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.43 -28.18 61.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 50.0 111.999 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.54 -30.83 4.14 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.837 -0.905 . . . . 50.0 110.837 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.0 149.0 32.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 171.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -93.24 -8.13 43.15 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -93.34 -1.08 56.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.623 1.201 . . . . 50.0 107.763 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -126.92 156.8 40.91 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 113.357 -1.747 . . . . 50.0 108.719 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tp -153.51 148.28 26.41 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.333 -1.729 . . . . 50.0 106.333 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -73.49 151.91 40.88 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.689 -0.404 . . . . 50.0 110.547 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -58.69 -43.44 90.01 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 122.386 -0.196 . . . . 50.0 110.949 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -56.41 -39.52 73.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.313 0.857 . . . . 50.0 113.313 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.44 -39.92 85.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.309 0.576 . . . . 50.0 110.047 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.61 -39.05 92.53 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.09 -0.504 . . . . 50.0 110.278 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -63.62 -33.17 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.167 -0.213 . . . . 50.0 110.729 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -79.15 -46.84 17.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.48 0.178 . . . . 25.0 111.48 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.56 -30.04 68.73 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 121.816 -0.553 . . . . 50.0 110.606 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -45.62 89.27 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 121.774 -0.579 . . . . 50.0 110.159 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -78.12 -22.42 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.758 -0.588 . . . . 50.0 110.804 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -29.91 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.716 -0.22 . . . . 25.0 111.096 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -104.24 -45.24 4.75 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.389 1.626 . . . . 50.0 115.389 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -69.02 -57.66 5.14 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.796 -0.184 . . . . 50.0 111.058 -172.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m 42.29 26.3 0.06 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 118.732 2.864 . . . . 50.0 118.732 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.78 -57.72 0.09 OUTLIER Glycine 0 C--N 1.334 0.461 0 CA-C-O 122.915 1.286 . . . . 50.0 112.597 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.6 m-85 -75.4 -12.12 60.19 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.591 1.33 . . . . 50.0 114.591 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -24.9 67.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.336 -1.302 . . . . 50.0 109.196 175.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -91.84 -28.46 17.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 122.877 1.323 . . . . 25.0 108.235 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.84 -8.94 57.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.502 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.12 137.69 58.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.906 -0.405 . . . . 50.0 109.906 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -123.35 -27.08 4.16 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.12 -0.363 . . . . 50.0 110.908 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.69 92.82 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 50.0 110.131 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.66 -33.38 62.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.514 . . . . 50.0 111.556 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.57 -38.34 80.65 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.66 -0.816 . . . . 50.0 110.679 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.15 40.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.471 0.653 . . . . 25.0 109.453 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.77 -32.27 57.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.763 -0.653 . . . . 50.0 111.843 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.79 -45.85 80.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.037 0.446 . . . . 50.0 110.229 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -70.92 -29.72 65.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.481 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.86 -43.27 24.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.253 -0.431 . . . . 50.0 110.32 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.5 mmt -65.98 -41.33 91.29 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.396 -0.815 . . . . 50.0 110.43 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -70.31 -20.96 62.98 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.081 -0.648 . . . . 50.0 111.538 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -46.49 38.95 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.029 -2.211 . . . . 50.0 105.029 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -26.73 68.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.546 -1.206 . . . . 50.0 111.261 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.3 -38.38 81.58 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.127 -0.358 . . . . 25.0 111.35 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -86.78 -29.37 22.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.838 0.828 . . . . 50.0 111.998 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -107.93 7.63 28.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.839 -1.073 . . . . 50.0 113.278 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.3 65.23 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.508 -0.315 . . . . 25.0 113.875 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.1 4.96 27.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.936 0.347 . . . . 25.0 111.936 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.74 -172.38 34.64 Favored Glycine 0 N--CA 1.434 -1.434 0 N-CA-C 107.445 -2.262 . . . . 50.0 107.445 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.5 150.5 50.14 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.921 -1.14 . . . . 50.0 113.691 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -145.54 178.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.699 -1.137 . . . . 50.0 109.586 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.75 -174.14 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.449 0.299 . . . . 50.0 110.305 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.49 -38.78 75.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -68.22 -39.18 82.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.106 0.479 . . . . 50.0 109.774 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -31.87 71.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 50.0 110.287 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -69.12 -46.21 68.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.112 -0.993 . . . . 50.0 110.77 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -32.11 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 122.057 -0.402 . . . . 50.0 111.793 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.09 -27.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.461 -0.774 . . . . 50.0 110.38 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.58 -30.23 70.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.682 -0.488 . . . . 50.0 109.682 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.64 -34.76 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 118.885 -1.126 . . . . 50.0 109.525 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.71 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 110.123 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -72.82 -36.36 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -47.74 73.07 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.868 -0.605 . . . . 25.0 111.321 -177.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.77 -30.77 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.052 -0.659 . . . . 50.0 110.937 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.09 68.21 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -89.69 -53.73 4.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.401 1.096 . . . . 50.0 112.218 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.62 -50.18 9.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.006 -1.452 . . . . 25.0 114.585 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -17.55 61.43 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 122.522 0.329 . . . . 75.0 111.872 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -40.84 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.369 2.729 . . . . 50.0 118.369 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--N 1.319 -0.755 0 O-C-N 121.377 -0.827 . . . . 50.0 112.323 177.625 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 120.956 0.408 . . . . 25.0 109.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.71 -40.1 95.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.83 71.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 50.0 112.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.29 -32.8 29.37 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.547 -0.72 . . . . 75.0 111.024 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -69.23 -21.89 63.9 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.18 62.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.177 -0.919 . . . . 25.0 112.616 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.2 ptp -62.85 -24.57 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.87 -32.35 73.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.242 0.544 . . . . 50.0 110.297 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -72.96 -37.25 67.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.851 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.25 -36.25 82.54 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.61 -39.68 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.01 72.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.012 0.195 . . . . 50.0 111.423 -177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.58 -29.58 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -58.15 4.89 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.816 0.817 . . . . 50.0 110.737 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -18.52 65.4 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.753 -1.112 . . . . 50.0 110.17 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.95 89.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.396 -0.522 . . . . 25.0 110.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.11 -12.29 18.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.321 0.86 . . . . 50.0 113.321 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -65.21 156.47 31.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.576 0.703 . . . . 25.0 111.954 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.01 -21.5 39.9 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -60.5 -30.0 69.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -109.67 41.71 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 124.885 2.279 . . . . 50.0 114.901 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.51 -31.04 7.1 Favored Glycine 0 C--N 1.289 -2.065 0 CA-C-N 112.534 -2.121 . . . . 50.0 115.656 167.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -136.44 155.0 50.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 173.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -85.28 -8.71 58.38 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -173.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.68 2.45 49.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.185 0.993 . . . . 50.0 108.774 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -127.1 155.93 42.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.849 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -157.24 152.97 26.79 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 105.414 -2.069 . . . . 50.0 105.414 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.494 -0.482 . . . . 50.0 111.449 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.3 -40.52 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.495 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -54.87 -41.5 70.9 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.823 0.675 . . . . 50.0 112.823 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.9 -37.86 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.421 0.629 . . . . 50.0 110.311 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.17 -37.71 88.29 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.74 -0.663 . . . . 50.0 109.953 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -64.31 -32.17 73.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.271 -0.268 . . . . 50.0 110.619 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.65 -46.47 19.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.77 -28.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.589 -0.694 . . . . 50.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.03 -44.53 92.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.782 -0.574 . . . . 50.0 109.587 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.66 -22.45 46.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.874 -0.73 . . . . 50.0 111.141 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -25.03 58.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.741 -0.384 . . . . 25.0 111.419 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.92 -45.02 3.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 115.007 1.484 . . . . 50.0 115.007 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.61 -64.94 0.89 Allowed 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.437 -0.505 . . . . 50.0 112.301 -172.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.9 m 34.91 35.85 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 117.494 2.405 . . . . 50.0 117.494 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.73 -58.04 0.09 OUTLIER Glycine 0 C--N 1.335 0.479 0 CA-C-O 122.407 1.004 . . . . 50.0 113.018 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -70.77 -23.73 62.46 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 113.808 1.04 . . . . 50.0 113.808 -173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -27.46 63.66 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.878 -1.056 . . . . 50.0 111.351 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.29 -20.2 23.2 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 123.327 1.537 . . . . 25.0 108.737 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.34 -1.85 58.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.693 -1.594 . . . . 25.0 111.509 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.57 142.44 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.297 -0.26 . . . . 75.0 110.297 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -120.73 -29.74 4.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.072 0.397 . . . . 50.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -77.33 92.78 3.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 50.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -34.49 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.354 . . . . 50.0 111.931 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.71 -38.52 76.97 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.263 -0.975 . . . . 50.0 110.08 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.24 -51.83 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.56 -34.81 72.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.045 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.02 -46.87 76.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.11 0.481 . . . . 50.0 110.419 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -73.45 -28.15 61.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.394 . . . . 25.0 111.949 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.71 -41.22 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.304 -0.258 . . . . 50.0 110.304 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.3 mmt -63.93 -42.35 97.39 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.304 -0.872 . . . . 50.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -73.05 -20.92 60.88 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 120.345 -0.542 . . . . 50.0 112.038 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.26 -47.93 46.43 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.308 -2.108 . . . . 50.0 105.308 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.53 -1.213 . . . . 50.0 111.067 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.02 -31.89 73.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.08 -30.4 19.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.755 0.788 . . . . 50.0 112.057 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -104.33 7.48 35.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.118 -0.946 . . . . 50.0 113.405 -171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.26 -32.53 72.25 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.29 3.77 34.02 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.09 -174.77 43.84 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 106.983 -2.447 . . . . 50.0 106.983 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -124.79 144.93 50.0 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 113.33 -1.435 . . . . 50.0 112.35 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.33 -179.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.911 . . . . 50.0 108.686 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -131.41 -174.17 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -56.93 -41.13 77.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.77 -41.77 97.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.899 -0.408 . . . . 50.0 109.899 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.73 -32.12 72.52 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.399 -0.521 . . . . 50.0 110.65 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.15 -42.14 84.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.629 0.728 . . . . 50.0 109.327 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 t -58.44 -39.67 75.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.701 -0.681 . . . . 50.0 112.097 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.31 -35.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -37.63 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 50.0 111.897 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.85 -30.51 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 119.55 -0.86 . . . . 50.0 109.122 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.44 -20.76 61.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.66 72.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.46 -35.91 68.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -67.65 -44.42 77.93 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.952 -0.567 . . . . 25.0 112.03 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.78 -33.74 63.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.677 -0.809 . . . . 50.0 109.633 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.79 66.05 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 122.067 -0.396 . . . . 25.0 110.329 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.85 -40.17 15.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.272 1.212 . . . . 50.0 114.272 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -109.38 -46.34 3.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -19.68 65.84 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 122.925 0.49 . . . . 75.0 112.311 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -47.23 -15.93 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 117.43 2.382 . . . . 50.0 117.43 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 . . . . . 0 C--N 1.321 -0.657 0 O-C-N 122.015 -0.428 . . . . 50.0 111.898 174.482 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 110.547 -0.168 . . . . 25.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -28.0 69.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.25 -0.648 . . . . 50.0 109.25 170.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -29.46 69.64 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.151 0.796 . . . . 50.0 113.151 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -81.63 -22.45 37.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.563 0.697 . . . . 50.0 112.342 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -21.91 58.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.852 0.835 . . . . 25.0 109.229 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.03 -57.63 8.14 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.2 63.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.2 -33.58 72.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.966 0.507 . . . . 50.0 111.933 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.8 p -74.67 -38.13 62.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 25.0 111.081 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -37.15 85.56 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -61.38 -40.99 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.71 73.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.457 0.169 . . . . 50.0 111.457 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 ' HH ' ' A' ' 74' ' ' TYR . 32.6 m -84.98 -29.64 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.4 -56.21 9.27 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.536 1.16 . . . . 50.0 111.298 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -70.83 -17.14 62.76 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.034 -1.439 . . . . 50.0 111.02 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.87 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 176.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -107.44 -5.09 17.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.332 1.604 . . . . 50.0 115.332 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 158.99 12.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.898 0.772 . . . . 25.0 112.581 -176.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.34 45.81 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.774 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -74.27 -29.34 61.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.329 -0.513 . . . . 50.0 111.953 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.92 35.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.7 -30.98 4.07 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-O 118.956 -0.913 . . . . 50.0 114.782 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -97.29 157.6 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.942 1.371 . . . . 25.0 112.134 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HE2' ' CE2' ' A' ' 26' ' ' TYR . 29.3 mtmm -68.42 -26.18 65.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 126.267 1.827 . . . . 25.0 113.572 -173.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 30.2 m-85 -109.5 9.62 25.33 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 122.194 0.997 . . . . 50.0 110.582 -174.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -124.42 152.5 43.17 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.929 -1.487 . . . . 50.0 111.177 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' H ' ' A' ' 29' ' ' SER . 2.0 tp -146.46 169.49 18.8 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 105.619 -1.993 . . . . 50.0 105.619 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 62.0 p -97.99 157.03 16.35 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.31 -0.626 . . . . 50.0 109.31 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -58.24 -49.07 78.4 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.141 -0.223 . . . . 50.0 111.385 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -54.47 -36.72 64.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.544 1.312 . . . . 50.0 114.544 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.26 -39.03 89.18 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.642 -0.423 . . . . 50.0 111.016 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.01 -39.84 95.01 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 120.917 0.389 . . . . 50.0 111.496 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -59.49 -38.06 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.009 -0.541 . . . . 50.0 109.78 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -46.5 13.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -175.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.06 -36.36 83.74 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.522 -0.471 . . . . 50.0 109.958 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.01 -46.15 82.59 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.792 -0.567 . . . . 50.0 110.601 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -73.85 -24.55 59.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.455 -0.898 . . . . 50.0 109.854 -171.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -28.57 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.049 0.218 . . . . 25.0 110.844 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.79 -37.07 12.53 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.42 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.611 -0.722 . . . . 50.0 112.777 -172.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.6 m 44.99 29.52 0.48 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.319 1.6 . . . . 50.0 115.319 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.37 -56.05 0.08 OUTLIER Glycine 0 C--O 1.226 -0.361 0 CA-C-O 122.076 0.82 . . . . 50.0 113.44 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -21.32 64.69 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -26.58 66.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.096 -0.956 . . . . 50.0 109.638 177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.43 -27.52 18.25 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.814 1.292 . . . . 25.0 108.905 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.18 62.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.286 -1.324 . . . . 25.0 112.449 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -63.56 141.37 58.79 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 122.607 0.363 . . . . 50.0 111.508 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -126.87 -25.92 3.26 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.201 0.815 . . . . 50.0 113.201 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -74.61 93.47 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 50.0 110.316 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.3 -34.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.403 -0.362 . . . . 50.0 111.626 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.68 -38.03 83.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.33 -0.548 . . . . 50.0 110.156 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.8 -52.35 21.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.776 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.73 -34.44 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.772 0.32 . . . . 50.0 110.911 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.78 -46.52 84.87 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 110.155 -0.313 . . . . 50.0 110.155 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -36.42 64.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -174.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.62 -42.16 62.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.507 -0.315 . . . . 50.0 110.83 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -66.72 -42.73 85.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.004 -1.079 . . . . 50.0 110.723 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -70.61 -26.4 63.48 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.906 -0.718 . . . . 50.0 111.819 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.65 -49.01 62.47 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 106.08 -1.822 . . . . 50.0 106.08 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -34.65 78.86 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.625 . . . . 50.0 111.088 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.71 -37.77 85.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -81.41 -32.42 32.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.692 0.758 . . . . 50.0 110.094 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -104.43 10.18 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.071 0.767 . . . . 50.0 113.071 -171.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.45 -32.49 57.91 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 115.825 1.09 . . . . 25.0 115.825 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -81.08 3.57 22.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.25 0.525 . . . . 25.0 111.442 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.23 -163.54 36.07 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 108.375 -1.89 . . . . 50.0 108.375 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.4 pt-20 -133.95 160.7 36.89 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.914 -0.643 . . . . 50.0 112.623 -171.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 m -147.96 166.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.302 -1.317 . . . . 50.0 110.719 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.69 -174.13 2.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.928 -1.138 . . . . 50.0 107.928 173.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.78 -38.94 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.869 0.692 . . . . 50.0 112.869 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -66.91 -38.29 85.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.708 -0.478 . . . . 50.0 109.708 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -37.04 86.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.257 0.551 . . . . 50.0 110.362 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' HH ' HG22 ' A' ' 14' ' ' VAL . 16.2 t80 -67.04 -43.07 83.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.099 -0.376 . . . . 50.0 110.586 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -29.95 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 120.825 -0.35 . . . . 50.0 111.495 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.61 -40.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.34 -35.16 79.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.906 -0.588 . . . . 50.0 112.041 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -75.46 -34.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.34 -0.944 . . . . 50.0 108.688 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.18 -20.8 63.1 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.911 -0.493 . . . . 25.0 111.624 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.93 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.2 -38.33 69.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -66.41 -47.11 74.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.726 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -67.53 -34.07 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.398 -0.521 . . . . 50.0 109.711 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.01 65.49 Favored 'General case' 0 C--O 1.204 -1.305 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.36 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.9 -54.44 5.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.3 -51.34 4.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.92 -168.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -71.66 -16.21 62.25 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.559 -0.746 . . . . 75.0 111.892 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -40.66 -23.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 118.314 2.709 . . . . 50.0 118.314 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.314 -0.965 0 C-N-CA 123.36 0.664 . . . . 50.0 112.383 177.516 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.231 0.089 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.31 -43.54 92.63 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.788 -0.57 . . . . 50.0 110.649 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.63 -26.98 67.34 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.368 0.507 . . . . 50.0 112.368 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -28.92 31.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.894 -0.504 . . . . 75.0 111.899 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -72.32 -20.74 61.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.62 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.39 69.3 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.093 0.405 . . . . 50.0 112.093 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.91 70.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.042 0.448 . . . . 50.0 111.108 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -74.58 -39.68 62.1 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.896 -0.503 . . . . 25.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -36.87 84.26 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.45 -41.29 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.85 77.15 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.391 0.432 . . . . 50.0 111.305 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.26 -29.84 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.072 0.768 . . . . 50.0 113.072 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.15 -58.7 4.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.402 1.096 . . . . 50.0 110.568 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -71.83 -15.7 62.14 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.992 -1.458 . . . . 50.0 111.841 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.4 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.384 -0.526 . . . . 25.0 109.851 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -121.1 9.06 10.44 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.49 1.293 . . . . 50.0 114.49 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 95.6 p -74.52 171.63 13.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.288 0.566 . . . . 25.0 111.596 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.38 67.93 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.719 -0.753 . . . . 25.0 112.593 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.43 -35.33 80.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.835 0.826 . . . . 50.0 110.637 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.37 -24.34 57.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.064 -1.426 . . . . 50.0 111.337 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.78 -28.26 4.71 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.097 -0.801 . . . . 50.0 111.097 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -119.82 154.15 34.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.603 0.716 . . . . 25.0 112.3 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.63 42.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -100.23 5.37 44.67 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 122.03 0.919 . . . . 50.0 109.299 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -126.83 155.63 42.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.854 -1.521 . . . . 50.0 108.15 -175.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -159.16 143.65 15.48 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.4 p -72.77 149.89 43.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.816 -0.439 . . . . 50.0 109.816 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -55.74 -41.8 74.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.614 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -59.42 -39.09 82.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.1 -38.01 84.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.323 0.582 . . . . 50.0 109.485 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.97 -39.88 95.13 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.691 -0.686 . . . . 50.0 110.663 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.23 -39.65 87.43 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.224 0.535 . . . . 50.0 110.255 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -45.82 36.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.736 -0.666 . . . . 25.0 112.752 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.93 -32.71 73.35 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.197 -0.601 . . . . 50.0 110.522 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.32 -43.28 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.894 -0.503 . . . . 50.0 110.344 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.58 -22.57 43.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.853 -0.739 . . . . 50.0 111.004 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -30.92 58.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.807 0.337 . . . . 25.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.98 -45.22 6.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -66.98 0.79 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.751 -0.658 . . . . 50.0 111.13 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.8 p 38.52 41.05 0.43 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.176 1.176 . . . . 50.0 114.176 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.03 -48.85 0.05 OUTLIER Glycine 0 C--O 1.223 -0.566 0 CA-C-O 122.137 0.854 . . . . 50.0 112.6 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -17.95 63.36 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -176.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -24.55 67.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.932 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -91.65 -18.85 23.37 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 123.14 1.448 . . . . 25.0 109.206 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.57 -9.6 57.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.041 -1.436 . . . . 25.0 112.431 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -71.81 128.3 35.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.977 -0.379 . . . . 75.0 109.977 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -115.89 -25.33 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.995 0.368 . . . . 50.0 111.995 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -79.07 93.23 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 50.0 110.044 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.24 -34.72 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.306 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.25 -37.48 85.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.229 0.538 . . . . 50.0 110.34 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.67 13.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.593 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.62 -32.55 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.813 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.91 -48.95 79.46 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -35.74 72.44 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.66 -174.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.58 -43.45 62.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.62 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.74 -40.88 92.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.284 -0.885 . . . . 50.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.04 -27.46 62.72 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.085 -0.646 . . . . 50.0 111.266 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -47.92 71.11 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 106.056 -1.831 . . . . 50.0 106.056 177.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -31.79 73.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.823 -0.626 . . . . 50.0 111.575 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.7 73.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.831 -0.543 . . . . 25.0 111.389 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.8 -32.28 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.537 0.684 . . . . 50.0 110.597 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.17 6.45 33.06 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.1 -32.57 67.33 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 114.32 0.488 . . . . 25.0 114.32 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.51 -0.87 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.93 -162.29 37.87 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 109.712 -1.355 . . . . 50.0 109.712 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.36 146.29 52.21 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -172.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.54 179.07 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.507 -0.769 . . . . 50.0 109.184 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -128.47 -174.08 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.162 -0.336 . . . . 50.0 110.232 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.52 -40.49 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.249 0.462 . . . . 50.0 112.249 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -64.88 -39.09 93.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.26 -0.274 . . . . 50.0 110.26 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -31.08 67.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.297 -0.561 . . . . 50.0 110.733 176.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -66.84 -40.11 87.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 50.0 108.073 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -57.42 -37.42 57.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.258 -0.883 . . . . 50.0 112.038 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -71.14 -39.73 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -65.07 -35.66 81.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.07 -0.514 . . . . 50.0 111.908 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.35 -31.61 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 119.643 -0.823 . . . . 50.0 109.338 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.66 61.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.13 -0.356 . . . . 25.0 111.682 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -73.37 -36.69 66.13 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.078 -0.712 . . . . 50.0 109.078 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.2 m -67.11 -45.86 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.788 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.48 -32.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.935 -0.706 . . . . 50.0 110.162 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.46 -24.95 61.27 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 122.069 -0.395 . . . . 25.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.7 t -85.82 -51.52 6.35 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.971 0.73 . . . . 50.0 112.971 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.05 -37.72 6.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -19.46 62.45 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.782 -0.574 . . . . 75.0 109.733 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.85 -23.65 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 117.167 2.284 . . . . 50.0 117.167 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 C--N 1.315 -0.903 0 C-N-CA 123.37 0.668 . . . . 50.0 112.651 177.068 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.0 -24.24 67.64 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.779 -0.576 . . . . 50.0 110.081 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -29.97 70.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.554 0.576 . . . . 50.0 112.554 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.44 -26.84 34.99 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 118.217 0.462 . . . . 50.0 111.565 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.83 -21.25 60.98 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 123.395 1.569 . . . . 25.0 109.007 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -56.9 14.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.225 -0.922 . . . . 25.0 112.375 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.44 -27.68 64.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.631 0.975 . . . . 50.0 113.631 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -32.69 74.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.015 0.436 . . . . 50.0 110.595 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -74.06 -38.25 64.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.186 0.517 . . . . 25.0 111.084 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.89 -38.1 89.83 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 108.512 -0.921 . . . . 50.0 108.512 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.28 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.18 75.09 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 111.414 0.153 . . . . 50.0 111.414 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' HH ' ' A' ' 74' ' ' TYR . 32.6 m -84.16 -31.98 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.099 0.476 . . . . 50.0 112.278 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -67.58 -57.44 6.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.961 1.362 . . . . 50.0 110.922 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.71 -14.16 61.5 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.85 -1.977 . . . . 50.0 110.945 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.63 -38.19 73.86 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.23 -5.71 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.299 0.852 . . . . 50.0 113.299 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -64.52 160.77 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -171.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.94 55.16 Favored Glycine 0 C--O 1.219 -0.797 0 CA-C-N 115.307 -0.861 . . . . 25.0 113.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -70.33 -30.42 67.38 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.498 -0.413 . . . . 50.0 111.858 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -21.64 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.902 -1.147 . . . . 50.0 107.902 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.98 4.08 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-O 118.974 -0.903 . . . . 50.0 114.694 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.35 155.71 18.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.757 1.279 . . . . 25.0 110.907 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -13.11 47.94 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -105.48 9.52 33.52 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.221 1.01 . . . . 50.0 108.824 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -133.49 169.7 16.59 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 113.529 -1.669 . . . . 50.0 107.298 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mt -157.25 169.48 24.65 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.445 -1.687 . . . . 50.0 106.445 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 52.0 p -88.85 157.35 18.48 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.964 -1.124 . . . . 50.0 107.964 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -57.52 -49.61 75.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.832 0.348 . . . . 50.0 111.371 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -54.74 -35.57 63.88 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 115.034 1.494 . . . . 50.0 115.034 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.62 -38.18 90.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.052 0.453 . . . . 50.0 111.039 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.77 -38.74 92.24 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.833 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -63.34 -35.45 80.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.141 -0.223 . . . . 50.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -81.15 -41.37 22.53 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.432 -0.507 . . . . 25.0 111.808 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.64 -31.2 68.05 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.582 -0.699 . . . . 50.0 110.367 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -43.8 97.39 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.718 -0.614 . . . . 50.0 110.139 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -78.73 -22.43 46.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.982 -0.687 . . . . 50.0 111.357 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -28.25 29.5 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -99.08 -44.15 6.4 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD21 ' H ' ' A' ' 44' ' ' PHE . 1.1 tt -81.0 -60.29 2.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.342 -174.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m 46.3 28.79 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.816 2.154 . . . . 50.0 116.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.59 -55.12 0.07 OUTLIER Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.948 0.749 . . . . 50.0 113.687 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.48 ' H ' HD21 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -71.24 -14.21 62.16 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.55 0.945 . . . . 50.0 113.55 -175.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -24.39 67.03 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.097 -0.956 . . . . 50.0 109.277 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.21 -23.32 18.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.981 1.372 . . . . 25.0 109.014 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 5.49 13.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.122 -1.399 . . . . 25.0 112.977 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.44 HE21 HD21 ' A' ' 81' ' ' LEU . 35.1 mt-30 -79.72 119.24 22.37 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.935 -0.478 . . . . 50.0 110.388 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -102.46 -24.28 13.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.029 -0.419 . . . . 50.0 111.138 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -84.54 83.29 8.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.05 -35.07 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.995 -0.548 . . . . 50.0 110.149 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.16 -31.92 73.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.257 0.551 . . . . 50.0 111.097 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -59.48 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.402 0.62 . . . . 25.0 109.982 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -64.29 -32.0 55.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.95 -46.55 87.21 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.388 -0.597 . . . . 50.0 109.388 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -24.41 63.54 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.476 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.29 -43.46 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.892 -0.595 . . . . 50.0 110.305 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.86 -38.03 87.72 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.975 -0.69 . . . . 50.0 109.447 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -25.86 62.11 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.405 -0.518 . . . . 50.0 111.635 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.55 -47.15 50.53 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 105.679 -1.971 . . . . 50.0 105.679 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.08 -33.72 76.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.118 -0.947 . . . . 50.0 110.204 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.86 -37.78 82.28 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -89.15 -14.16 36.77 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.062 -0.399 . . . . 50.0 111.623 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -114.59 10.24 16.74 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.326 0.584 . . . . 50.0 112.081 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.07 -29.73 56.26 Favored Glycine 0 C--N 1.318 -0.432 0 N-CA-C 115.981 1.152 . . . . 25.0 115.981 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.94 4.12 20.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.432 0.616 . . . . 25.0 111.338 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -159.47 27.38 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 108.934 -1.666 . . . . 50.0 108.934 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.8 pt-20 -136.77 156.7 48.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.021 0.439 . . . . 50.0 112.159 -172.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.58 173.45 9.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 114.413 -1.267 . . . . 50.0 110.959 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -176.75 4.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.548 -1.279 . . . . 50.0 107.548 173.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.35 -41.67 85.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.702 0.631 . . . . 50.0 112.702 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.82 -38.23 88.35 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.885 -0.413 . . . . 50.0 109.885 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.222 -0.924 . . . . 50.0 110.474 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' HH ' HG23 ' A' ' 14' ' ' VAL . 14.3 t80 -67.05 -42.2 85.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.683 0.754 . . . . 50.0 109.297 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.85 -37.98 49.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.581 -0.736 . . . . 50.0 112.349 176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.82 -0.808 . . . . 50.0 108.82 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.67 -35.65 80.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.725 -0.671 . . . . 50.0 112.07 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.56 -35.25 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.207 -0.997 . . . . 50.0 108.564 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.19 -20.71 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.841 -0.537 . . . . 25.0 111.823 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.31 73.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.398 0.618 . . . . 25.0 109.417 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD21 HE21 ' A' ' 48' ' ' GLN . 36.1 mt -72.54 -35.97 68.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -42.15 76.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -68.97 -34.65 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 119.471 -0.892 . . . . 50.0 109.938 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.21 -28.99 66.86 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.5 t -82.73 -47.54 11.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.778 1.029 . . . . 50.0 113.778 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.31 -41.1 4.73 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -168.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -19.49 63.6 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 123.174 0.59 . . . . 75.0 111.488 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -41.18 -21.26 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 118.07 2.618 . . . . 50.0 118.07 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--N 1.317 -0.839 0 O-C-N 121.741 -0.599 . . . . 50.0 112.49 176.182 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.268 0.556 . . . . 25.0 111.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.01 -39.71 94.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.561 -0.533 . . . . 50.0 109.561 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -28.14 67.87 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 50.0 112.08 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -82.17 -31.13 30.6 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.14 -0.35 . . . . 75.0 111.224 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -68.84 -22.1 64.24 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.96 -56.55 16.82 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.13 -24.92 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.216 0.821 . . . . 50.0 113.216 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.45 -33.78 76.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 50.0 109.866 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 69.5 p -73.22 -39.64 65.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.991 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -37.87 89.02 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 108.717 -0.846 . . . . 50.0 108.717 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.07 -40.14 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.452 -0.573 . . . . 50.0 109.452 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -46.31 76.66 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.97 0.169 . . . . 50.0 111.229 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.78 -30.09 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 112.864 0.69 . . . . 50.0 112.864 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.34 -57.83 6.63 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.606 1.193 . . . . 50.0 110.111 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -69.42 -20.28 63.79 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.461 -1.7 . . . . 50.0 110.995 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.45 91.15 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.996 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -101.78 -0.44 34.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.416 0.524 . . . . 50.0 112.416 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -73.26 159.84 32.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.659 1.355 . . . . 25.0 114.659 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -4.95 56.2 Favored Glycine 0 C--O 1.221 -0.707 0 CA-C-N 115.141 -0.936 . . . . 25.0 112.71 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -66.62 -24.13 66.27 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.59 -0.359 . . . . 50.0 110.276 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.02 -26.17 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.72 -0.673 . . . . 50.0 111.032 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.49 -30.78 4.16 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.577 -0.609 . . . . 50.0 111.577 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.99 153.09 32.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 173.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -93.07 -9.59 39.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -94.17 2.93 55.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.56 1.172 . . . . 50.0 109.297 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.81 158.39 42.61 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 113.207 -1.815 . . . . 50.0 108.367 -171.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.53 150.14 21.1 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.781 -1.192 . . . . 50.0 107.781 172.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.05 148.68 47.3 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -52.35 -43.29 64.56 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.029 0.381 . . . . 50.0 112.029 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -56.77 -39.16 73.54 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -65.79 -38.08 88.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 50.0 110.198 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.55 -36.82 83.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.784 . . . . 50.0 110.894 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -66.48 -33.23 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.254 -0.279 . . . . 50.0 110.681 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.97 -42.8 31.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.63 -30.79 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.804 -0.758 . . . . 50.0 109.594 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -43.88 95.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.727 -0.608 . . . . 50.0 110.232 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.7 -22.41 46.7 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.452 -0.78 . . . . 50.0 110.943 -175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -30.21 40.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 121.054 -0.258 . . . . 25.0 111.109 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.52 -45.1 6.22 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.94 1.089 . . . . 50.0 113.94 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -65.86 0.96 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.455 -0.339 . . . . 50.0 110.286 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.36 35.4 2.74 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.617 1.34 . . . . 50.0 114.617 -176.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.44 -30.77 0.12 Allowed Glycine 0 C--O 1.217 -0.942 0 N-CA-C 115.856 1.102 . . . . 50.0 115.856 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -96.05 -23.74 16.66 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 121.589 -0.948 . . . . 50.0 112.102 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -24.21 66.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.996 -1.002 . . . . 50.0 111.492 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.69 -16.91 13.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.526 0.679 . . . . 25.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.98 6.68 12.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.523 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.11 126.85 30.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 75.0 109.828 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -100.28 -28.52 12.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.306 0.242 . . . . 50.0 111.153 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -72.66 96.86 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.359 0.599 . . . . 50.0 110.688 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.23 -33.54 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.926 . . . . 50.0 111.859 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.62 -40.76 76.4 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.473 -0.767 . . . . 50.0 109.812 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.0 70.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.578 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.01 -35.95 76.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.508 -0.477 . . . . 50.0 110.38 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.31 -34.22 70.4 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 119.606 -0.838 . . . . 50.0 112.901 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -83.59 -39.29 20.51 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.428 -0.17 . . . . 25.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.28 -36.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.161 1.171 . . . . 50.0 114.161 -174.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.15 -37.11 80.68 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 117.437 -1.705 . . . . 50.0 108.531 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -73.06 -25.77 61.03 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.965 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.5 -48.92 65.67 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 105.512 -2.033 . . . . 50.0 105.512 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -34.47 77.89 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.224 -0.898 . . . . 50.0 111.181 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -68.15 -35.47 78.13 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.871 -0.518 . . . . 25.0 112.34 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.18 -31.68 24.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.442 0.639 . . . . 50.0 110.248 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -104.03 9.59 36.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.942 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.36 -30.42 64.65 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-N 116.182 -0.463 . . . . 25.0 113.19 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.37 -0.11 35.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.9 -158.92 33.8 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 109.867 -1.293 . . . . 50.0 109.867 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.36 147.77 52.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.86 174.42 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.129 -0.693 . . . . 50.0 109.129 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.27 -174.1 2.97 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.995 -0.441 . . . . 50.0 110.379 -175.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -57.93 -42.11 84.18 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 111.941 0.349 . . . . 50.0 111.941 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.93 -41.42 97.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.43 -27.73 65.52 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.981 -0.288 . . . . 50.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.61 -41.19 84.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.087 -0.708 . . . . 50.0 109.087 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.03 -34.91 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.167 -0.47 . . . . 50.0 109.911 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.82 -40.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.36 -36.44 82.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.089 -0.505 . . . . 50.0 112.231 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.19 -32.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.349 -0.94 . . . . 50.0 108.744 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.54 -20.68 60.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.47 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.75 -36.42 67.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -65.98 -47.85 73.2 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 111.929 0.344 . . . . 25.0 111.929 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.91 -34.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.19 -0.604 . . . . 50.0 109.628 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -30.26 61.01 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.749 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -84.48 -42.77 15.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.959 1.096 . . . . 50.0 113.959 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.46 -52.42 2.77 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -67.82 -16.18 63.98 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 113.296 0.851 . . . . 75.0 113.296 -175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -46.69 -15.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 117.155 2.28 . . . . 50.0 117.155 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 123.658 0.783 . . . . 50.0 111.076 174.04 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.209 -1.032 0 N-CA-C 110.817 -0.068 . . . . 25.0 110.817 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.92 -25.6 68.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.162 0.506 . . . . 50.0 110.412 172.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.05 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 50.0 111.792 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.93 -31.13 31.48 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.623 -0.673 . . . . 50.0 111.625 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -22.29 65.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.37 -54.44 40.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.323 -0.853 . . . . 25.0 113.091 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ptp -60.78 -27.32 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.581 0.585 . . . . 50.0 112.581 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -33.01 74.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.762 0.791 . . . . 50.0 110.733 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -73.69 -38.43 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.49 . . . . 25.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.03 -36.62 83.74 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.65 -38.45 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.894 -0.78 . . . . 50.0 108.894 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.68 74.84 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 111.584 0.216 . . . . 50.0 111.584 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.35 -31.6 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.588 0.588 . . . . 50.0 112.588 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -66.65 -55.33 15.73 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.496 1.141 . . . . 50.0 110.821 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -73.38 -14.46 61.28 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.608 -1.633 . . . . 50.0 110.835 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.31 -39.25 78.38 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -94.64 -10.26 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.813 0.672 . . . . 50.0 112.813 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -62.1 149.5 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -170.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.22 -3.57 51.28 Favored Glycine 0 C--O 1.222 -0.647 0 CA-C-N 114.89 -1.05 . . . . 25.0 113.166 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.48 -25.06 65.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 109.285 -0.635 . . . . 50.0 109.285 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.8 -28.15 28.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.772 -0.649 . . . . 50.0 110.08 174.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.78 4.39 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.797 -0.638 . . . . 50.0 113.642 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.0 154.17 22.04 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.927 0.864 . . . . 25.0 112.339 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.31 -23.02 61.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -173.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -114.49 15.88 17.77 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.997 0.427 . . . . 50.0 111.496 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -132.35 150.73 52.1 Favored 'General case' 0 CA--C 1.488 -1.433 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 -173.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -154.45 148.17 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 108.029 -1.1 . . . . 50.0 108.029 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 p -70.66 150.19 46.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -52.89 -42.42 65.3 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.6 0.593 . . . . 50.0 112.6 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.19 -39.44 75.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.776 0.658 . . . . 50.0 112.776 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -63.61 -38.79 92.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.406 0.622 . . . . 50.0 110.489 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -37.84 84.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.954 -0.566 . . . . 50.0 110.506 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.74 -32.36 73.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.88 -0.415 . . . . 50.0 109.88 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.65 -47.38 26.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.424 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.49 -30.72 67.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.714 -0.616 . . . . 50.0 111.383 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.53 -42.03 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.775 -0.578 . . . . 50.0 110.394 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -80.32 -22.58 41.37 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.735 -0.603 . . . . 50.0 110.078 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -33.39 49.74 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.297 0.373 . . . . 25.0 111.924 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -95.19 -45.12 7.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -60.16 2.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.687 -172.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.54 25.06 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.649 1.722 . . . . 50.0 115.649 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.2 -55.81 0.1 Allowed Glycine 0 C--O 1.228 -0.246 0 CA-C-O 121.688 0.604 . . . . 50.0 112.889 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -20.09 63.13 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.167 1.173 . . . . 50.0 114.167 -174.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -26.05 67.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.001 -1.0 . . . . 50.0 109.808 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.53 -21.41 15.93 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.591 1.186 . . . . 25.0 109.251 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.46 -12.11 61.36 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.625 -1.17 . . . . 25.0 111.53 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.96 140.25 58.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.686 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -123.97 -23.24 4.66 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.529 0.566 . . . . 50.0 112.529 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -73.32 95.06 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 50.0 110.467 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.28 -34.56 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.913 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.3 -40.95 81.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.838 -1.145 . . . . 50.0 109.942 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.65 65.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.271 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.48 -33.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.375 -0.53 . . . . 50.0 110.18 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.96 -38.68 66.66 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.501 -0.48 . . . . 50.0 110.362 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -38.21 64.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.72 -39.9 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.101 -0.5 . . . . 50.0 111.681 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.7 mmt -65.89 -40.21 91.35 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.823 -1.151 . . . . 50.0 109.201 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -70.82 -22.23 62.36 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.581 -0.447 . . . . 50.0 112.038 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -74.79 -49.5 20.6 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 105.949 -1.871 . . . . 50.0 105.949 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -34.74 77.08 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.932 -1.031 . . . . 50.0 111.055 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.74 -33.68 76.17 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.36 -31.71 21.36 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.924 0.868 . . . . 50.0 111.624 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -101.94 9.42 40.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.841 -1.072 . . . . 50.0 112.659 -171.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.2 -32.41 67.44 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -85.47 6.81 25.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.882 0.341 . . . . 25.0 111.879 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.29 -158.42 31.25 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.565 -1.814 . . . . 50.0 108.565 174.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.93 143.4 44.91 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.39 175.12 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.879 -0.601 . . . . 50.0 110.984 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.18 -174.1 3.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.228 -0.295 . . . . 50.0 110.498 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.31 -40.09 77.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.717 0.636 . . . . 50.0 112.717 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.49 -40.7 96.17 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.54 -0.541 . . . . 50.0 109.54 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -33.36 72.99 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.945 -0.702 . . . . 50.0 110.449 175.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.72 -43.88 87.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.441 -0.787 . . . . 50.0 110.536 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -29.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 122.085 -0.385 . . . . 50.0 111.061 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.4 t -74.66 -36.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.691 -0.855 . . . . 50.0 108.691 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.23 -35.18 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.302 -0.249 . . . . 50.0 111.521 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.57 -33.85 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.359 -0.936 . . . . 50.0 108.879 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -20.8 62.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.076 -0.39 . . . . 25.0 111.49 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.45 74.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -38.21 69.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.677 -0.86 . . . . 50.0 108.677 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -43.45 80.33 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.285 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.5 m -71.93 -30.45 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.662 -1.215 . . . . 50.0 111.093 -176.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.06 60.78 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.75 -54.55 5.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.625 0.972 . . . . 50.0 113.625 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -44.24 4.22 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -168.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -65.81 -20.96 66.44 Favored 'General case' 0 C--O 1.192 -1.958 0 CA-C-O 118.939 -0.553 . . . . 75.0 110.124 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -42.33 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.416 2.747 . . . . 50.0 118.416 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 CA--C 1.552 1.055 0 C-N-CA 124.146 0.978 . . . . 50.0 110.782 176.103 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--O 1.214 -0.801 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.3 -28.34 68.62 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.375 -0.828 . . . . 50.0 110.304 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -28.46 69.03 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.214 0.449 . . . . 50.0 112.214 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.86 -29.01 32.69 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 119.722 -0.791 . . . . 75.0 112.103 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -22.13 66.89 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.24 -57.36 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.089 -0.959 . . . . 25.0 112.359 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.84 -27.13 64.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.969 0.729 . . . . 50.0 112.969 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.77 -32.6 73.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.459 0.647 . . . . 50.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -75.63 -38.92 58.56 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 122.066 -0.396 . . . . 25.0 110.947 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.21 -37.63 88.15 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.08 -40.0 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -43.4 76.14 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-N 116.538 -0.301 . . . . 50.0 111.221 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -86.46 -31.84 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.1 -57.53 8.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.301 1.048 . . . . 50.0 111.811 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -71.92 -16.02 62.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.135 -1.393 . . . . 50.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.45 69.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 25.0 110.314 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.49 5.35 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -65.15 155.83 33.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.892 0.853 . . . . 25.0 113.276 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.63 -4.15 59.56 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.461 -0.876 . . . . 25.0 113.764 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -64.37 -35.66 81.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.222 0.534 . . . . 50.0 110.049 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.83 -28.63 65.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.923 -1.035 . . . . 50.0 110.628 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -17.18 6.46 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.959 -0.564 . . . . 50.0 112.641 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -124.69 146.3 49.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.193 0.997 . . . . 25.0 111.967 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.09 -21.77 64.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 116.667 2.099 . . . . 25.0 116.667 -170.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -114.38 21.45 14.61 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.646 0.736 . . . . 50.0 110.983 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -136.87 153.78 50.67 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 114.533 -1.212 . . . . 50.0 108.326 -172.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 mt -156.83 149.12 23.15 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 106.258 -1.756 . . . . 50.0 106.258 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 67.4 m -83.95 157.01 22.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.542 -0.911 . . . . 50.0 108.542 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -56.45 -39.98 74.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.107 0.41 . . . . 50.0 112.107 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -56.2 -36.01 67.91 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.102 0.477 . . . . 50.0 111.938 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.35 -39.05 65.51 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 121.511 0.672 . . . . 50.0 110.621 -175.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 50.0 109.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -61.46 -37.58 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 50.0 110.751 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.72 -45.23 37.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.24 -28.47 66.37 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.901 -0.72 . . . . 50.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.4 96.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 50.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.65 -22.56 37.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.555 -0.716 . . . . 50.0 110.981 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -27.75 63.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.997 -0.371 . . . . 25.0 109.997 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -107.14 -44.81 4.28 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 116.775 2.139 . . . . 50.0 116.775 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.84 -63.38 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.852 -0.613 . . . . 50.0 112.065 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m 33.21 43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.272 1.582 . . . . 50.0 115.272 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.58 0.07 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.34 -0.457 . . . . 50.0 113.66 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -20.69 63.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.241 1.2 . . . . 50.0 114.241 -174.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -23.73 67.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.75 -1.114 . . . . 50.0 110.412 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -98.86 -16.23 18.93 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.728 1.251 . . . . 25.0 109.053 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 2.6 28.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.36 -1.291 . . . . 25.0 110.926 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -79.88 121.94 26.04 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.158 0.504 . . . . 75.0 110.657 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -93.05 -30.06 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.243 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -74.51 97.23 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.377 0.608 . . . . 50.0 112.452 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.36 -34.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 50.0 112.194 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.04 -36.69 72.45 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.353 -0.939 . . . . 50.0 110.148 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.57 60.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.95 -35.65 75.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.481 -0.488 . . . . 50.0 110.986 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.25 -37.31 85.19 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.957 -0.464 . . . . 50.0 111.143 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -83.51 -33.18 25.58 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -81.43 -36.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 111.666 0.247 . . . . 50.0 111.666 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp -66.81 -38.23 86.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.789 -1.195 . . . . 50.0 109.542 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -73.51 -29.48 62.51 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.924 -0.71 . . . . 50.0 111.634 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.29 -48.87 71.63 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -30.85 71.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.939 0.399 . . . . 50.0 110.709 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.35 -34.42 74.57 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.582 -0.699 . . . . 25.0 112.29 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.1 -18.49 22.55 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.017 -0.427 . . . . 50.0 112.13 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -112.29 4.53 17.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.078 0.77 . . . . 50.0 113.078 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.52 79.63 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 116.293 -0.412 . . . . 25.0 113.749 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.63 7.63 19.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.842 0.312 . . . . 25.0 111.842 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.53 -146.4 6.06 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 111.187 -0.765 . . . . 50.0 111.187 175.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.3 pt-20 -148.94 142.36 25.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.049 -0.723 . . . . 50.0 109.049 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -149.83 -178.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 122.6 0.36 . . . . 50.0 110.821 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -130.85 -174.21 3.3 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.783 -0.573 . . . . 50.0 111.86 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -56.62 -41.33 76.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.689 0.626 . . . . 50.0 112.689 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -38.72 92.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 50.0 109.855 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.63 -31.16 69.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.784 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -67.58 -42.13 83.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.451 -0.781 . . . . 50.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.39 -41.54 81.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.839 -0.619 . . . . 50.0 112.161 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.67 -26.55 16.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 121.001 -1.062 . . . . 50.0 110.41 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.66 -29.41 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.131 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.8 -31.57 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.611 -1.236 . . . . 50.0 108.536 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.15 -20.64 62.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.01 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.69 -35.9 70.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.114 -0.698 . . . . 50.0 109.114 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -67.75 -44.85 76.54 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.06 -34.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.725 -0.79 . . . . 50.0 109.793 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.2 60.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.858 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.19 -48.31 10.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.343 0.497 . . . . 50.0 112.343 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -111.43 -36.39 5.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -20.91 65.14 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.813 -0.44 . . . . 75.0 109.813 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -40.9 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 117.652 2.464 . . . . 50.0 117.652 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 . . . . . 0 CA--C 1.56 1.351 0 O-C-N 121.281 -0.887 . . . . 50.0 111.444 174.766 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 CA--C 1.513 -0.475 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.32 -24.08 43.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.261 0.553 . . . . 50.0 110.315 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -30.48 71.52 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.859 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.47 -30.77 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -22.35 66.18 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 122.313 1.054 . . . . 25.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.72 -57.83 9.93 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.938 -1.028 . . . . 25.0 112.862 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 ptp -58.75 -26.13 63.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.13 -34.73 78.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.238 0.542 . . . . 50.0 110.682 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 p -74.07 -39.13 63.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.233 0.539 . . . . 25.0 111.26 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.65 -36.64 84.91 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 175.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -63.16 -39.91 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.31 75.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.973 0.17 . . . . 50.0 110.963 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 m -83.68 -31.31 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-O 121.252 0.548 . . . . 50.0 112.275 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -66.75 -56.21 11.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.332 1.063 . . . . 50.0 111.446 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -74.14 -14.0 60.9 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.027 -1.442 . . . . 50.0 111.351 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -108.3 -9.58 15.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.767 1.766 . . . . 50.0 115.767 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.5 p -64.87 160.78 19.7 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.047 1.294 . . . . 25.0 112.125 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -10.04 68.55 Favored Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.666 -0.697 . . . . 25.0 112.508 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -60.53 -42.09 95.78 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.399 -0.963 . . . . 50.0 108.399 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -103.56 41.7 1.25 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 124.858 2.266 . . . . 50.0 115.665 -172.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.6 -30.35 6.16 Favored Glycine 0 C--N 1.288 -2.094 0 CA-C-N 112.48 -2.145 . . . . 50.0 116.083 167.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.66 155.64 42.28 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.978 0.889 . . . . 25.0 113.377 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -73.56 -24.52 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.005 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.08 4.67 19.59 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.114 0.483 . . . . 50.0 111.493 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -115.83 149.92 37.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.446 -1.316 . . . . 50.0 107.446 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.72 144.65 21.71 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 105.245 -2.132 . . . . 50.0 105.245 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 p -78.43 152.03 32.38 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.081 0.467 . . . . 50.0 111.909 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -57.19 -40.99 78.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 50.0 110.549 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -53.91 -42.89 69.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.485 0.55 . . . . 50.0 112.485 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.222 0.534 . . . . 50.0 110.173 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.89 -38.5 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.848 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -63.9 -32.7 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.419 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -45.65 14.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.85 -31.69 72.78 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.557 -0.457 . . . . 50.0 110.235 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.22 94.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 110.098 -0.334 . . . . 50.0 110.098 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.26 -24.03 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.662 -0.815 . . . . 50.0 111.155 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -30.82 66.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.483 -0.192 . . . . 25.0 110.483 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.89 -45.08 7.1 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 -64.99 1.02 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.33 0.863 . . . . 50.0 113.33 -172.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m 44.61 32.63 0.79 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.701 1.371 . . . . 50.0 114.701 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.75 -52.99 0.07 OUTLIER Glycine 0 C--N 1.332 0.345 0 CA-C-O 121.896 0.72 . . . . 50.0 113.332 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -14.66 61.4 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -174.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.12 67.87 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.193 -0.912 . . . . 50.0 109.328 175.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -93.55 -27.34 16.69 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.715 1.245 . . . . 25.0 108.636 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.28 -10.64 60.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.182 -1.372 . . . . 25.0 113.536 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -64.44 138.73 58.57 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.252 -0.28 . . . . 50.0 110.799 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -123.44 -25.94 4.32 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.219 -0.3 . . . . 50.0 111.689 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -81.48 87.01 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.97 -35.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.453 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.13 -31.31 72.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.28 0.562 . . . . 50.0 110.962 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -57.86 3.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.302 0.572 . . . . 25.0 109.809 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.38 -31.98 55.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 N-CA-C 112.987 0.736 . . . . 50.0 112.987 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.8 -45.3 86.86 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.299 -0.56 . . . . 50.0 109.68 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.57 70.73 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.316 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.8 t -79.17 -44.88 24.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.287 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.88 -36.6 82.67 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.451 -0.781 . . . . 50.0 110.405 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -21.46 59.75 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.013 -0.675 . . . . 50.0 111.484 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.94 -45.63 34.07 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 105.241 -2.133 . . . . 50.0 105.241 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.548 -1.205 . . . . 50.0 110.398 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.95 -36.41 84.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -83.0 -33.27 26.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.138 0.97 . . . . 50.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.69 6.9 44.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.464 -1.244 . . . . 50.0 113.313 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.69 -30.48 74.96 Favored Glycine 0 CA--C 1.504 -0.617 0 CA-C-N 115.879 -0.601 . . . . 25.0 113.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.46 0.51 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.49 -166.63 39.17 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.105 -1.598 . . . . 50.0 109.105 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -132.25 144.24 50.48 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.853 -1.174 . . . . 50.0 113.364 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 m -148.58 -179.07 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 50.0 108.821 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -129.06 -174.17 3.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.403 0.52 . . . . 50.0 112.403 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -55.85 -38.32 69.92 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.35 -36.9 85.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.866 -0.42 . . . . 50.0 109.866 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.31 -39.73 89.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.606 0.717 . . . . 50.0 109.358 174.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.73 -44.02 91.5 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.238 -0.914 . . . . 50.0 110.292 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -32.3 55.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 O-C-N 122.228 -0.295 . . . . 50.0 111.72 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.1 -26.33 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.338 -0.851 . . . . 50.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -29.57 69.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -82.64 -33.52 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 118.71 -1.196 . . . . 50.0 109.164 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -20.66 63.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.829 -0.544 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.422 0.629 . . . . 25.0 109.502 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 mt -75.32 -36.06 61.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -46.45 77.08 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.904 0.383 . . . . 25.0 111.788 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.61 -32.78 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 119.77 -0.772 . . . . 50.0 111.113 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 -29.56 57.55 Favored 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 20.9 t -81.59 -54.92 5.01 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.13 -45.46 5.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.978 0.894 . . . . 25.0 113.24 -168.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -72.0 -20.62 61.69 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 113.697 0.999 . . . . 75.0 113.697 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -40.27 -16.4 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.745 2.498 . . . . 50.0 117.745 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 123.84 0.856 . . . . 50.0 111.646 173.407 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.23 0.068 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.04 -39.72 87.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.476 0.655 . . . . 50.0 109.797 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.71 -31.1 72.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.127 1.158 . . . . 50.0 114.127 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.96 -25.53 37.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.491 -0.755 . . . . 75.0 111.647 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.7 m -69.44 -22.17 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.9 32.77 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ptp -59.74 -26.01 65.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 -177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.05 -33.88 75.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.6 0.715 . . . . 50.0 110.449 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.0 p -74.34 -39.54 62.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.893 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -35.92 82.69 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 176.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.87 -39.61 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -44.79 78.03 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.446 -0.343 . . . . 50.0 111.347 -176.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -85.02 -32.43 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 112.223 0.453 . . . . 50.0 112.223 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.7 -57.99 6.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.742 1.258 . . . . 50.0 111.311 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.79 -14.98 62.14 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.445 -1.707 . . . . 50.0 110.543 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.49 74.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -102.93 -3.57 25.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.232 0.827 . . . . 50.0 113.232 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.407 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 95.2 p -65.86 159.88 24.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -171.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.14 10.62 41.76 Favored Glycine 0 C--O 1.22 -0.723 0 CA-C-N 114.953 -1.021 . . . . 25.0 112.639 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -80.73 -28.29 36.6 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.717 -0.284 . . . . 50.0 110.903 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -26.7 55.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.583 -1.636 . . . . 50.0 106.583 171.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.28 -29.56 4.52 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.17 -1.35 . . . . 50.0 115.14 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -103.0 155.21 18.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 119.781 1.79 . . . . 25.0 113.116 175.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -23.09 64.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -172.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -111.62 15.93 20.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 50.0 111.295 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.17 151.41 50.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 115.721 -0.672 . . . . 50.0 109.555 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 5.0 mt -154.12 164.29 38.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.785 -1.191 . . . . 50.0 107.785 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 99.0 p -86.01 158.48 19.84 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -62.06 -41.56 98.27 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.661 0.267 . . . . 50.0 111.44 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.1 -36.35 72.76 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 121.113 0.482 . . . . 50.0 111.391 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -38.95 85.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.328 0.585 . . . . 50.0 110.795 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -37.21 83.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 50.0 110.263 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.65 -40.29 91.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.358 . . . . 50.0 110.861 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.57 -38.01 35.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.11 -29.57 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.302 -0.874 . . . . 50.0 110.118 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.88 -43.63 95.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.904 -0.498 . . . . 50.0 110.328 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.98 -22.62 42.34 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.997 -0.681 . . . . 50.0 111.18 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -27.99 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.528 0.204 . . . . 25.0 111.217 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.99 -44.89 5.35 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.68 0.993 . . . . 50.0 113.68 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.38 -61.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.877 -174.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.75 29.79 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.082 1.512 . . . . 50.0 115.082 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.41 -52.4 0.08 OUTLIER Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.553 0.529 . . . . 50.0 113.325 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -71.41 -16.48 62.4 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 113.817 1.043 . . . . 50.0 113.817 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -25.1 67.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.184 -0.916 . . . . 50.0 109.654 175.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -99.83 -26.44 14.02 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.841 1.305 . . . . 25.0 109.029 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.12 -5.02 28.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.394 -1.276 . . . . 25.0 113.022 -177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.41 141.58 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.348 0.259 . . . . 75.0 111.484 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -129.47 -24.31 2.8 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.445 0.905 . . . . 50.0 113.445 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -79.88 90.75 5.32 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.7 -36.16 75.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.299 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.61 -31.21 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.272 0.558 . . . . 50.0 111.141 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.72 -57.79 3.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.563 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.97 -30.41 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 N-CA-C 113.854 1.057 . . . . 50.0 113.854 -170.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.53 -44.34 91.16 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.243 -0.651 . . . . 50.0 109.243 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.36 73.16 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.328 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.53 -43.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.365 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.6 mtp -65.68 -41.01 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.686 -0.634 . . . . 50.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -26.12 64.47 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 119.942 -0.703 . . . . 50.0 111.547 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -74.53 -47.0 35.44 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -36.55 84.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.062 0.458 . . . . 50.0 110.313 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.33 -31.08 71.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.18 -11.79 25.62 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.3 10.51 11.99 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.603 0.594 . . . . 50.0 112.603 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.77 68.1 Favored Glycine 0 C--O 1.227 -0.309 0 N-CA-C 114.637 0.615 . . . . 25.0 114.637 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -86.39 7.84 24.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.065 0.433 . . . . 25.0 111.985 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.56 -156.74 25.49 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.133 -1.987 . . . . 50.0 108.133 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -138.46 148.86 44.84 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.78 -179.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.614 -1.175 . . . . 50.0 109.741 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.33 -174.31 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.933 -0.395 . . . . 50.0 109.933 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.92 -42.2 79.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.332 0.493 . . . . 50.0 112.332 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.28 -40.59 94.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.511 -0.551 . . . . 50.0 109.511 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -29.92 68.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 50.0 111.544 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -66.58 -41.29 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.669 -0.812 . . . . 50.0 109.183 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.18 -38.06 75.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.938 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.15 -37.32 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.44 -35.91 82.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.265 -0.425 . . . . 50.0 112.063 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.66 -31.19 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.527 -0.869 . . . . 50.0 109.156 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.71 -20.6 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.3 68.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.09 54.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 50.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.51 -46.71 75.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.16 -35.04 74.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.29 -0.564 . . . . 50.0 109.569 -177.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.03 -32.78 59.52 Favored 'General case' 0 C--O 1.201 -1.467 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.419 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.5 -44.96 33.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.676 0.991 . . . . 50.0 113.676 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -108.38 -51.18 2.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.66 -21.0 64.47 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 112.92 0.711 . . . . 75.0 112.92 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -46.34 -15.86 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.174 2.657 . . . . 50.0 118.174 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 123.114 0.565 . . . . 50.0 111.282 173.098 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.217 -0.636 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -30.11 61.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.639 0.607 . . . . 50.0 112.639 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -26.95 68.94 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.61 -25.19 49.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.162 0.506 . . . . 50.0 111.632 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -22.24 52.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.65 0.738 . . . . 25.0 109.578 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.08 7.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.488 -0.778 . . . . 25.0 112.702 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -33.63 65.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.634 0.605 . . . . 50.0 112.634 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.64 -34.75 74.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.863 0.363 . . . . 50.0 111.677 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.0 p -71.69 -38.76 70.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 25.0 110.888 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.44 -37.27 84.79 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.1 -38.04 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.933 -0.765 . . . . 50.0 108.933 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -47.03 76.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.973 0.171 . . . . 50.0 111.1 -178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.23 -31.86 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.288 0.566 . . . . 50.0 112.15 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -65.91 -59.03 4.25 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 122.688 1.232 . . . . 50.0 110.78 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -72.11 -15.12 61.99 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.425 -1.716 . . . . 50.0 111.117 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -40.37 85.35 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.038 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -94.89 -8.93 35.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.848 0.685 . . . . 50.0 112.848 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -63.9 156.39 27.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.201 1.556 . . . . 25.0 115.201 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.83 -5.92 43.55 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.768 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -61.34 -40.77 95.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.302 0.572 . . . . 50.0 109.895 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -106.33 41.86 1.36 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 124.845 2.259 . . . . 50.0 115.548 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.09 -30.86 7.55 Favored Glycine 0 C--N 1.289 -2.076 0 CA-C-N 112.321 -2.218 . . . . 50.0 114.753 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -137.69 160.46 39.16 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -11.13 50.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -105.99 8.88 32.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.012 -1.107 . . . . 50.0 108.012 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -132.03 161.54 32.94 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.908 -1.886 . . . . 50.0 105.908 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.96 168.46 26.7 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 104.63 -2.359 . . . . 50.0 104.63 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 153.84 17.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -55.89 -39.52 71.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.434 -0.348 . . . . 50.0 111.182 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -56.51 -42.43 78.38 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.335 -0.617 . . . . 50.0 109.335 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.66 -39.25 93.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.04 -0.527 . . . . 50.0 111.196 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -61.33 -39.55 90.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 50.0 109.723 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -45.42 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -175.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.03 -32.63 74.22 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.04 0.448 . . . . 50.0 110.096 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.97 -49.55 69.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.821 -0.549 . . . . 50.0 109.863 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.14 -24.42 57.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.692 -0.803 . . . . 50.0 111.125 -172.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.08 63.65 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.124 0.265 . . . . 25.0 110.378 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.21 -43.09 8.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.422 0.629 . . . . 50.0 111.842 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -64.46 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m 43.04 36.21 0.89 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.623 1.342 . . . . 50.0 114.623 -173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.7 -49.73 0.06 OUTLIER Glycine 0 C--N 1.334 0.455 0 CA-C-O 121.653 0.585 . . . . 50.0 113.162 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -18.97 63.05 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 113.346 0.869 . . . . 50.0 113.346 -176.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.113 -0.949 . . . . 50.0 109.498 177.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.17 -26.74 19.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.709 1.242 . . . . 25.0 108.786 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.74 -9.28 58.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.321 -1.308 . . . . 25.0 112.672 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -73.8 117.93 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -108.91 -17.4 13.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.123 -0.361 . . . . 50.0 111.769 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -83.58 93.98 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.209 0.528 . . . . 50.0 110.816 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -34.68 66.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.418 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.46 -32.83 71.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.86 -0.736 . . . . 50.0 111.294 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 -52.64 17.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 25.0 109.823 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.94 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.808 -0.357 . . . . 50.0 111.542 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.44 -36.71 85.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.248 0.547 . . . . 50.0 110.532 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -83.43 -32.25 26.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 25.0 111.635 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.6 -38.34 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 116.563 -0.29 . . . . 50.0 111.762 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 mmt -68.29 -35.8 78.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.986 -1.086 . . . . 50.0 109.851 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -72.34 -29.42 63.79 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 119.854 -0.738 . . . . 50.0 110.401 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.43 -45.05 77.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 106.585 -1.635 . . . . 50.0 106.585 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -29.23 70.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 50.0 111.458 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.3 -38.78 75.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.159 0.504 . . . . 25.0 111.369 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.61 -35.65 45.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 122.206 1.003 . . . . 50.0 110.642 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -103.93 5.15 35.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 50.0 114.115 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.17 -31.59 69.58 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 121.827 -0.225 . . . . 25.0 113.636 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -83.53 0.45 46.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 -178.98 41.91 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 107.302 -2.319 . . . . 50.0 107.302 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -119.1 143.88 46.92 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 112.951 -1.625 . . . . 50.0 112.491 -172.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.85 -178.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.875 -1.057 . . . . 50.0 109.774 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.31 -174.14 3.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.27 -0.269 . . . . 50.0 110.318 -174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.874 0.694 . . . . 50.0 112.874 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -65.79 -37.58 86.68 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.72 -33.32 70.73 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.339 -0.544 . . . . 50.0 110.49 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.25 -43.84 85.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.034 -1.041 . . . . 50.0 109.947 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -29.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 112.205 0.446 . . . . 50.0 112.205 -177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.8 -28.23 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.159 -0.963 . . . . 50.0 109.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.56 -29.32 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.776 -0.453 . . . . 50.0 109.776 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.08 -33.57 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 118.884 -1.126 . . . . 50.0 109.461 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.03 -20.68 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.753 -0.592 . . . . 25.0 111.351 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.7 73.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.458 0.647 . . . . 25.0 109.754 174.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -36.07 70.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 m -67.23 -45.01 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.992 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.21 -31.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 119.883 -0.727 . . . . 50.0 110.52 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.45 64.68 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.0 t -84.65 -51.52 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.659 0.743 . . . . 50.0 112.9 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.75 -38.97 7.64 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.956 1.465 . . . . 25.0 114.956 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -18.9 62.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.897 -0.502 . . . . 75.0 109.878 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -40.72 -25.42 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.249 2.314 . . . . 50.0 117.249 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.318 -0.782 0 N-CA-C 113.059 0.763 . . . . 50.0 113.059 176.574 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 25.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.07 -40.72 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.039 0.447 . . . . 50.0 110.436 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -30.5 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.74 0.645 . . . . 50.0 112.74 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.0 -24.77 35.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 120.165 -0.614 . . . . 75.0 112.235 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -71.49 -20.35 62.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.74 -53.17 58.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -32.57 69.76 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.21 0.459 . . . . 50.0 111.706 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.74 -33.38 70.18 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.845 0.458 . . . . 50.0 111.691 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 p -72.72 -39.51 66.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.87 -0.519 . . . . 25.0 110.841 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.49 80.5 Favored 'General case' 0 C--O 1.207 -1.149 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.81 -39.42 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -45.99 80.15 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.273 0.358 . . . . 50.0 111.161 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.81 -30.98 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -66.24 -60.56 2.67 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.301 1.048 . . . . 50.0 110.612 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -70.77 -15.35 62.67 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.939 -1.482 . . . . 50.0 111.618 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.88 74.42 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.02 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -115.88 5.02 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.335 0.865 . . . . 50.0 113.335 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -76.15 166.51 23.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.458 1.281 . . . . 25.0 114.458 -173.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.15 0.58 55.96 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.549 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.82 -41.78 95.48 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.576 -0.527 . . . . 50.0 109.576 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -98.94 41.91 1.12 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 124.936 2.303 . . . . 50.0 115.226 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.55 -30.82 6.55 Favored Glycine 0 C--N 1.289 -2.08 0 CA-C-N 112.557 -2.11 . . . . 50.0 115.139 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -137.44 156.29 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.619 0.709 . . . . 25.0 112.728 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -16.66 58.89 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -175.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.79 5.03 49.66 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 108.898 -0.779 . . . . 50.0 108.898 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -127.26 156.84 41.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.657 -1.238 . . . . 50.0 107.657 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mt -157.22 157.77 34.95 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.187 -1.782 . . . . 50.0 106.187 175.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -81.0 153.39 27.46 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.385 -0.968 . . . . 50.0 108.385 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -58.09 -40.49 81.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 50.0 110.208 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.67 -39.14 90.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.538 0.94 . . . . 50.0 113.538 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.58 -39.1 88.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.506 0.669 . . . . 50.0 109.524 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.29 -38.91 92.73 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.63 -0.713 . . . . 50.0 110.06 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.43 -36.24 83.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.681 0.276 . . . . 50.0 110.287 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -46.47 44.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -177.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.38 -30.6 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.237 -0.585 . . . . 50.0 110.481 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.71 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.935 -0.478 . . . . 50.0 110.206 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.25 -22.41 41.74 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.926 -0.71 . . . . 50.0 111.033 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.3 57.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 25.0 110.56 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.95 -45.12 6.4 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.882 1.068 . . . . 50.0 113.882 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -66.1 0.93 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 50.0 111.774 -173.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.1 t 40.38 41.48 1.05 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.19 -43.89 0.07 OUTLIER Glycine 0 C--O 1.223 -0.563 0 N-CA-C 112.088 -0.405 . . . . 50.0 112.088 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -18.07 62.74 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.207 0.817 . . . . 50.0 113.207 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.9 66.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.03 -0.986 . . . . 50.0 110.404 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.34 -26.67 12.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.054 0.93 . . . . 25.0 109.544 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.39 -26.01 60.8 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.398 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -64.84 147.31 53.49 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.226 1.01 . . . . 75.0 111.139 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -128.94 -34.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.704 1.001 . . . . 50.0 113.704 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.17 94.28 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.934 0.397 . . . . 50.0 110.695 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.93 -35.21 72.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.653 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.99 -31.53 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.316 0.579 . . . . 50.0 111.09 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.63 -56.72 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.002 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.49 -33.31 62.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.007 0.743 . . . . 50.0 113.007 -171.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.38 -46.07 84.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.444 0.64 . . . . 50.0 110.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.37 70.97 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.903 -175.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.005 -0.543 . . . . 50.0 110.508 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.7 mmt -65.28 -40.09 93.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.435 -0.79 . . . . 50.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -74.18 -19.18 60.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.106 -0.637 . . . . 50.0 111.701 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -76.28 -47.43 23.77 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 105.21 -2.145 . . . . 50.0 105.21 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -32.93 72.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.984 -1.007 . . . . 50.0 111.306 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.4 -39.93 89.32 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.448 -0.501 . . . . 25.0 112.228 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -84.22 -29.97 26.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.824 0.821 . . . . 50.0 111.417 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -101.87 7.24 41.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.144 -0.934 . . . . 50.0 112.911 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.64 65.9 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 119.883 -0.399 . . . . 25.0 114.084 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.09 4.56 33.56 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.485 0.314 . . . . 25.0 111.64 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.04 -170.68 39.94 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.663 -2.575 . . . . 50.0 106.663 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.63 149.29 52.55 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -144.68 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.432 -1.258 . . . . 50.0 108.397 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.97 -174.13 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 50.0 109.762 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -57.67 -41.63 81.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.87 -0.418 . . . . 50.0 109.87 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.739 0.304 . . . . 50.0 111.211 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -66.1 -41.67 90.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -37.7 75.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.408 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.3 -38.22 73.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.43 -38.05 89.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.695 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -76.63 -28.59 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.727 -0.789 . . . . 50.0 109.614 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -20.53 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.995 -0.441 . . . . 25.0 112.096 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.45 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -78.15 -33.91 50.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.956 -0.565 . . . . 50.0 109.633 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.2 m -66.52 -46.39 76.36 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.51 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.839 -0.801 . . . . 50.0 108.839 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.24 73.45 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 116.33 -0.396 . . . . 25.0 111.241 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.85 -44.37 23.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.124 1.157 . . . . 50.0 114.124 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -105.07 -49.74 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -171.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.83 -16.28 61.14 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 113.175 0.806 . . . . 75.0 113.175 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -47.19 -15.59 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.376 2.361 . . . . 50.0 117.376 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 123.604 0.762 . . . . 50.0 111.351 173.647 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.85 -26.9 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.844 0.683 . . . . 50.0 112.844 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -28.84 70.32 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.878 0.696 . . . . 50.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.55 -22.86 40.4 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.804 0.729 . . . . 50.0 112.17 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -22.16 62.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.349 0.595 . . . . 25.0 110.573 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -58.75 6.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -32.96 63.6 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.398 0.518 . . . . 50.0 112.398 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.49 -36.38 71.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.154 0.502 . . . . 50.0 111.638 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 p -73.36 -39.96 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.551 . . . . 25.0 111.43 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -36.19 82.85 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 108.819 -0.808 . . . . 50.0 108.819 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.61 -38.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.91 78.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.855 0.097 . . . . 50.0 111.255 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.25 -31.32 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.17 0.509 . . . . 50.0 112.26 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -71.01 -54.96 9.36 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 122.551 1.167 . . . . 50.0 111.439 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.31 -14.03 62.07 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 113.609 -1.632 . . . . 50.0 110.546 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.95 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -101.83 -13.79 17.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.013 1.116 . . . . 50.0 114.013 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.5 p -63.93 154.06 35.06 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.359 -0.838 . . . . 25.0 109.807 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.2 -16.56 58.03 Favored Glycine 0 C--O 1.224 -0.522 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.37 -31.58 72.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -77.48 -25.59 50.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.593 0.711 . . . . 50.0 110.905 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.5 -26.06 5.26 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-O 119.524 -0.598 . . . . 50.0 114.063 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.42 153.42 33.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.015 0.908 . . . . 25.0 111.43 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -113.46 5.04 16.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.765 0.283 . . . . 50.0 111.765 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.22 148.47 43.63 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.559 0.695 . . . . 50.0 110.085 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -155.89 149.55 25.03 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 106.981 -1.489 . . . . 50.0 106.981 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 96.3 p -75.29 151.94 38.27 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.639 -0.424 . . . . 50.0 110.908 -177.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -59.25 -43.84 92.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.94 -0.304 . . . . 50.0 111.246 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -55.56 -39.22 70.36 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.35 0.5 . . . . 50.0 112.35 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.81 -36.52 83.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 50.0 111.137 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.39 -37.11 85.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.205 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.62 -32.78 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.566 -0.288 . . . . 50.0 110.269 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.47 -47.39 23.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.601 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.22 -29.98 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.828 -0.545 . . . . 50.0 110.83 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -44.43 94.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.941 -0.474 . . . . 50.0 109.88 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -80.25 -22.42 41.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.85 -0.74 . . . . 50.0 111.361 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -27.77 60.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.569 0.211 . . . . 25.0 111.569 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.82 -44.97 5.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.955 0.724 . . . . 50.0 112.955 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -62.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 -172.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.1 p 44.53 34.37 1.09 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.884 1.438 . . . . 50.0 114.884 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.07 -48.65 0.06 OUTLIER Glycine 0 C--O 1.224 -0.479 0 CA-C-O 121.779 0.655 . . . . 50.0 112.891 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -12.26 60.53 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 121.676 -0.896 . . . . 50.0 113.384 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -24.42 67.0 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.232 -0.894 . . . . 50.0 108.985 175.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -86.91 -36.53 18.33 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.3 19.37 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.404 -1.725 . . . . 25.0 114.259 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.45 114.03 12.37 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.903 -0.498 . . . . 50.0 109.929 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -107.05 -19.32 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.268 -0.27 . . . . 50.0 111.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -84.3 83.25 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.002 -1.11 . . . . 50.0 108.002 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -34.66 68.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 50.0 110.579 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.15 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.261 0.553 . . . . 50.0 110.983 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -58.64 3.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 m -66.71 -29.4 46.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -172.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.12 -41.93 99.44 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -32.08 64.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.963 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.65 -41.0 17.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 122.712 0.405 . . . . 50.0 111.261 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 92.4 mtp -64.5 -39.79 94.45 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.221 -0.924 . . . . 50.0 109.322 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -72.21 -29.24 63.78 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.002 -0.679 . . . . 50.0 111.219 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.76 -44.86 84.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 106.253 -1.758 . . . . 50.0 106.253 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -29.45 70.69 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.707 -1.133 . . . . 50.0 110.559 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -71.95 -34.87 69.36 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.359 -0.838 . . . . 25.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -79.72 -36.5 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.3 1.048 . . . . 50.0 110.389 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -101.72 3.55 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.168 -1.378 . . . . 50.0 113.336 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.4 -27.83 70.09 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.62 -0.718 . . . . 25.0 114.284 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.76 -1.71 39.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.459 0.153 . . . . 25.0 111.335 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.08 -171.38 32.49 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 108.696 -1.762 . . . . 50.0 108.696 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -130.79 150.03 52.15 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 113.361 -1.419 . . . . 50.0 114.48 -171.106 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.13 -179.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 113.965 -1.471 . . . . 50.0 111.041 -170.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.92 -174.22 3.25 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -56.94 -39.54 74.72 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.175 0.806 . . . . 50.0 113.175 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.37 -35.91 81.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.81 -34.46 75.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.319 0.58 . . . . 50.0 110.68 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -69.83 -44.59 69.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.515 -0.741 . . . . 50.0 111.048 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -31.63 51.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.883 -0.51 . . . . 50.0 112.12 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -81.69 -27.4 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.111 -0.993 . . . . 50.0 110.208 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.78 -29.45 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.51 -33.14 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 118.876 -1.13 . . . . 50.0 109.494 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.83 63.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.808 -0.557 . . . . 25.0 111.441 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.32 72.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 25.0 109.29 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.93 -34.27 62.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.13 -45.99 75.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.69 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.12 -33.66 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.057 -0.657 . . . . 50.0 110.532 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.14 -27.31 61.59 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 122.169 -0.332 . . . . 25.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.53 -54.64 4.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.023 0.916 . . . . 50.0 112.675 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -96.6 -46.44 6.32 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 114.484 -1.234 . . . . 25.0 113.528 -168.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.318 3.4 m120 -69.21 -20.61 63.97 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.783 -1.099 . . . . 75.0 111.698 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -42.39 -17.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.767 2.136 . . . . 50.0 116.767 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 CA--C 1.557 1.24 0 CA-C-O 121.39 0.614 . . . . 50.0 111.437 176.067 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.38 -42.32 75.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.993 -0.683 . . . . 50.0 110.485 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -33.61 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.429 0.9 . . . . 50.0 113.429 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.68 -22.65 50.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.006 0.743 . . . . 75.0 113.006 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -72.01 -22.12 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.27 -55.7 16.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -30.91 65.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.646 0.61 . . . . 50.0 112.646 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.38 -29.94 70.23 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 122.808 0.443 . . . . 50.0 111.759 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -80.48 -34.27 35.97 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.093 -0.643 . . . . 25.0 111.337 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 107.883 -1.154 . . . . 50.0 107.883 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mt -61.62 -41.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.863 -0.792 . . . . 50.0 108.863 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -45.16 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.204 0.315 . . . . 50.0 111.294 -176.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.55 -30.86 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.24 -55.41 10.64 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-O 122.451 1.12 . . . . 50.0 110.47 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -72.3 -14.38 61.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.739 -1.573 . . . . 50.0 111.984 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.88 82.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -103.94 -12.2 16.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.957 1.095 . . . . 50.0 113.957 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -62.72 149.91 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.269 -0.894 . . . . 25.0 110.743 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.29 -12.92 60.22 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.536 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -65.63 -29.25 69.8 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.556 -0.379 . . . . 50.0 110.368 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -78.4 -25.59 46.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.983 -0.553 . . . . 50.0 110.508 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -23.26 5.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-O 119.269 -0.739 . . . . 50.0 114.327 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.4 154.09 35.61 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.342 1.071 . . . . 25.0 112.23 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -24.23 64.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -108.11 8.24 28.02 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.858 0.361 . . . . 50.0 111.181 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -123.05 148.58 45.43 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 121.448 0.642 . . . . 50.0 111.91 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -156.78 144.32 19.07 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.043 -1.095 . . . . 50.0 108.043 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -71.87 152.64 42.45 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.327 -0.233 . . . . 50.0 111.35 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -55.61 -46.54 77.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.021 0.378 . . . . 50.0 112.021 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -55.98 -40.9 73.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.15 -37.47 87.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.33 0.586 . . . . 50.0 111.405 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.59 -37.29 87.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.569 . . . . 50.0 110.281 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.06 -31.64 71.43 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.999 -0.371 . . . . 50.0 109.999 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.89 -48.08 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.367 0.267 . . . . 25.0 111.334 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.2 -29.79 66.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.667 -0.645 . . . . 50.0 111.072 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.616 -0.677 . . . . 50.0 110.446 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -80.75 -23.05 39.66 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.628 -0.67 . . . . 50.0 110.539 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -32.71 51.9 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.609 -0.269 . . . . 25.0 111.64 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.34 -44.86 6.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.445 1.276 . . . . 50.0 114.445 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -60.38 1.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.555 -0.748 . . . . 50.0 111.067 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 46.77 27.82 0.73 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.341 1.608 . . . . 50.0 115.341 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.95 -55.11 0.09 OUTLIER Glycine 0 C--N 1.333 0.391 0 CA-C-O 121.442 0.468 . . . . 50.0 113.041 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -21.4 63.75 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 114.452 1.279 . . . . 50.0 114.452 -174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.775 -1.102 . . . . 50.0 109.943 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -99.83 -20.9 15.96 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.558 1.171 . . . . 25.0 109.44 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -13.71 62.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.59 -1.187 . . . . 25.0 111.551 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.01 144.1 57.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.849 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -127.54 -25.18 3.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.198 0.599 . . . . 50.0 112.518 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -72.73 96.83 2.09 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.962 0.41 . . . . 50.0 110.241 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.22 -36.15 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.967 -0.561 . . . . 50.0 112.396 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.77 -37.57 76.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.196 -1.002 . . . . 50.0 109.913 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.52 62.23 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.49 -36.72 78.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.526 -0.47 . . . . 50.0 110.619 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.02 -46.9 79.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.921 0.391 . . . . 50.0 110.435 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.19 -32.49 59.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.12 -40.09 21.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.88 -0.146 . . . . 50.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.8 -41.89 91.35 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 118.926 -1.11 . . . . 50.0 109.578 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -70.72 -24.99 62.75 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.256 -0.577 . . . . 50.0 111.686 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.38 -50.18 48.56 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 106.14 -1.8 . . . . 50.0 106.14 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -32.52 73.93 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.921 -1.036 . . . . 50.0 111.165 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -67.83 -34.18 76.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -84.56 -32.89 23.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.91 0.862 . . . . 50.0 111.133 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -102.41 7.83 40.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.852 -1.067 . . . . 50.0 113.039 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.64 -32.87 61.92 Favored Glycine 0 C--N 1.321 -0.299 0 N-CA-C 115.494 0.958 . . . . 25.0 115.494 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -81.39 2.56 27.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.067 0.434 . . . . 25.0 111.541 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.67 -163.88 39.78 Favored Glycine 0 N--CA 1.438 -1.219 0 N-CA-C 109.267 -1.533 . . . . 50.0 109.267 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -131.69 146.18 52.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.047 -1.077 . . . . 50.0 113.462 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.03 178.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.556 0.742 . . . . 50.0 109.72 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.01 -175.02 3.64 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.851 -0.53 . . . . 50.0 110.569 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.2 -42.2 85.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.792 0.293 . . . . 50.0 111.792 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.78 -41.98 98.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.86 -33.79 75.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.43 -0.908 . . . . 50.0 111.443 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.79 -41.67 99.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.145 -0.622 . . . . 50.0 109.51 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.27 -39.43 78.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 111.957 0.355 . . . . 50.0 111.957 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.83 -35.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.61 -36.14 80.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.519 -0.31 . . . . 50.0 111.784 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -76.09 -29.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.54 -0.864 . . . . 50.0 108.795 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.98 -20.93 60.19 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.818 -0.551 . . . . 25.0 111.327 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -34.2 75.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -35.59 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -67.17 -48.11 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.162 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.73 -33.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.327 -0.549 . . . . 50.0 110.283 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.03 -25.93 59.1 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.624 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.18 -54.57 4.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.367 0.603 . . . . 50.0 112.52 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -104.71 -32.2 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -166.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.41 -20.99 35.98 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.978 -0.378 . . . . 75.0 109.978 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -40.79 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.681 2.845 . . . . 50.0 118.681 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 123.768 0.827 . . . . 50.0 111.211 176.225 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 108.431 -0.951 . . . . 25.0 108.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.72 -28.69 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 116.839 2.162 . . . . 50.0 116.839 -171.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.744 -0.598 . . . . 50.0 111.333 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.7 -25.12 35.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 119.31 -0.956 . . . . 50.0 111.983 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -22.4 66.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 25.0 110.188 174.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -52.08 65.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptp -61.2 -25.4 67.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.74 0.644 . . . . 50.0 112.74 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.47 -33.35 75.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.228 0.537 . . . . 50.0 110.543 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -73.17 -38.37 66.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.123 0.487 . . . . 25.0 110.937 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.52 -37.07 86.26 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.76 -38.5 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.361 -0.607 . . . . 50.0 109.361 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.21 72.55 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.033 0.208 . . . . 50.0 110.871 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.99 -30.93 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.192 0.52 . . . . 50.0 112.148 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.61 -57.71 7.5 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 122.427 1.108 . . . . 50.0 110.801 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.64 -17.03 61.7 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.87 -1.513 . . . . 50.0 110.823 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.5 78.08 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.887 -0.725 . . . . 25.0 109.114 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -103.99 -3.73 24.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.461 0.912 . . . . 50.0 113.461 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 p -72.07 167.18 20.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.62 0.724 . . . . 25.0 112.155 -174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.29 68.46 Favored Glycine 0 CA--C 1.51 -0.268 0 C-N-CA 120.758 -0.734 . . . . 25.0 111.75 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -62.32 -43.3 99.15 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.952 -0.759 . . . . 50.0 108.952 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -102.57 41.63 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.783 2.23 . . . . 50.0 115.729 -172.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -30.81 6.53 Favored Glycine 0 C--N 1.287 -2.183 0 CA-C-N 112.73 -2.032 . . . . 50.0 114.909 168.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.59 165.15 25.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.283 0.541 . . . . 25.0 110.508 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 64.8 pttt -93.01 -20.84 20.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -177.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.476 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 26.1 m-85 -90.54 -14.25 32.98 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.997 0.903 . . . . 50.0 108.62 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -111.93 155.68 23.31 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 113.8 -1.545 . . . . 50.0 107.689 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -160.15 149.36 17.53 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.662 -1.977 . . . . 50.0 105.662 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -80.73 150.92 29.11 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.581 -0.448 . . . . 50.0 111.381 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HE2' HG13 ' A' ' 69' ' ' VAL . 32.8 mttm -57.02 -38.04 72.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.291 -0.413 . . . . 50.0 111.772 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -54.83 -41.72 71.05 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.3 0.481 . . . . 50.0 112.3 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.65 -40.19 69.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.226 0.536 . . . . 50.0 110.218 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.59 -39.62 94.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.346 0.593 . . . . 50.0 110.77 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.02 -34.15 77.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.899 -0.591 . . . . 50.0 110.207 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -77.25 -44.41 29.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.74 -30.67 69.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.773 -0.58 . . . . 50.0 110.258 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.25 -43.59 97.57 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.616 -0.513 . . . . 50.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.97 -23.11 38.99 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.993 -0.683 . . . . 50.0 111.31 -175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -29.16 61.23 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.164 0.29 . . . . 25.0 111.726 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.19 -44.95 5.79 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -62.8 1.57 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.069 -0.514 . . . . 50.0 111.74 -173.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m 46.84 28.89 0.9 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.625 1.343 . . . . 50.0 114.625 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.77 -53.88 0.07 OUTLIER Glycine 0 C--N 1.332 0.309 0 CA-C-O 121.815 0.675 . . . . 50.0 113.305 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.63 -14.58 61.63 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -24.87 67.85 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.139 -0.937 . . . . 50.0 109.308 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.5 -29.23 14.01 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.687 1.232 . . . . 25.0 108.998 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.39 52.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.234 . . . . 25.0 113.658 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -63.66 140.09 58.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.427 -0.212 . . . . 50.0 110.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.94 -25.03 3.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -79.96 89.31 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.183 -0.673 . . . . 50.0 109.183 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.37 -34.69 65.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.75 -0.659 . . . . 50.0 111.734 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.68 -36.8 76.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.332 -0.947 . . . . 50.0 110.702 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -53.93 42.2 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.89 -31.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.211 0.529 . . . . 50.0 110.102 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -76.23 -27.69 56.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.141 -0.482 . . . . 25.0 112.096 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.8 -42.15 17.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 122.375 0.27 . . . . 50.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.77 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.448 -0.782 . . . . 50.0 109.783 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -23.87 60.18 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 119.847 -0.741 . . . . 50.0 111.925 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -74.63 -44.68 49.34 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.001 -1.852 . . . . 50.0 106.001 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -34.79 75.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.065 -0.97 . . . . 50.0 110.429 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.97 -36.36 83.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.04 0.448 . . . . 25.0 111.938 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -84.1 -32.72 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.265 1.031 . . . . 50.0 111.662 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -103.87 4.99 35.48 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.208 -1.36 . . . . 50.0 113.823 -169.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.86 76.88 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 116.336 -0.393 . . . . 25.0 113.778 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.55 5.17 40.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.72 -163.6 39.52 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 106.885 -2.486 . . . . 50.0 106.885 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.96 146.3 40.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.449 -0.875 . . . . 50.0 112.004 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG13 ' HE2' ' A' ' 30' ' ' LYS . 15.4 m -148.55 -178.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.244 -1.344 . . . . 50.0 108.795 -173.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.53 -174.17 3.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.296 0.498 . . . . 50.0 111.655 -174.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.83 -39.85 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.734 0.642 . . . . 50.0 112.734 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.0 -36.76 85.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.433 -0.58 . . . . 50.0 109.433 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.75 -37.42 76.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.412 0.625 . . . . 50.0 110.188 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -65.37 -43.0 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 50.0 111.531 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.97 -28.76 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 O-C-N 121.768 -0.582 . . . . 50.0 111.471 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.98 -36.88 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.684 -0.858 . . . . 50.0 108.684 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.1 -36.73 82.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 50.0 111.289 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -76.35 -34.14 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.362 -0.935 . . . . 50.0 109.105 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.56 62.81 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.72 71.82 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.59 -34.91 62.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -46.93 72.88 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -67.22 -33.99 66.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.141 -0.623 . . . . 50.0 110.185 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.36 66.67 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.896 -0.409 . . . . 25.0 109.896 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -79.17 -55.53 5.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.094 0.775 . . . . 50.0 113.094 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -95.21 -44.57 7.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.37 -0.832 . . . . 25.0 113.006 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.48 -0.04 44.6 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.614 -0.434 . . . . 75.0 111.409 -171.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.45 -16.5 1.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.214 1.931 . . . . 50.0 116.214 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 C--N 1.317 -0.834 0 C-N-CA 123.581 0.752 . . . . 50.0 111.545 178.287 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 121.52 0.676 . . . . 25.0 110.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -35.72 81.76 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.194 -0.669 . . . . 50.0 109.194 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -31.29 71.87 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.417 0.895 . . . . 50.0 113.417 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.24 -26.93 32.79 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.556 -0.715 . . . . 75.0 110.796 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.5 m -69.86 -22.65 63.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -54.3 45.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.428 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.0 ptp -61.8 -24.02 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.848 0.685 . . . . 50.0 112.848 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.36 -31.23 72.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.595 0.712 . . . . 50.0 110.378 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 p -75.77 -39.73 56.56 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -35.75 81.94 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 108.631 -0.877 . . . . 50.0 108.631 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.53 -41.49 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -43.64 78.47 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.259 0.35 . . . . 50.0 111.129 -175.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 m -86.79 -30.51 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 113.352 0.871 . . . . 50.0 113.352 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -70.51 -55.39 9.04 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 122.414 1.102 . . . . 50.0 110.856 -175.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -71.27 -14.42 62.22 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.949 -1.478 . . . . 50.0 111.245 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.13 85.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -103.67 -13.75 16.38 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.94 1.089 . . . . 50.0 113.94 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -61.55 147.71 44.57 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.193 -0.942 . . . . 25.0 110.309 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 -18.46 43.21 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.778 -0.929 . . . . 25.0 110.778 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.26 -30.59 71.64 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.668 0.271 . . . . 50.0 110.945 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.5 -25.95 57.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.702 0.763 . . . . 50.0 111.029 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.27 -25.99 5.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.167 -0.54 . . . . 50.0 112.963 -176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -117.33 152.72 34.33 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.531 0.682 . . . . 25.0 111.486 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -20.11 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -173.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -110.92 5.23 20.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 111.89 0.33 . . . . 50.0 111.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.5 149.53 43.77 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.601 0.715 . . . . 50.0 110.606 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -154.34 149.3 26.74 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.213 -1.403 . . . . 50.0 107.213 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 97.2 p -74.54 154.29 38.69 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.491 -0.484 . . . . 50.0 112.004 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -60.66 -46.28 90.94 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.292 -0.255 . . . . 50.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -55.41 -38.24 68.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.24 -39.7 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 50.0 110.937 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.67 -38.87 92.04 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.652 -0.703 . . . . 50.0 110.466 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -64.54 -32.65 74.38 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.231 -0.293 . . . . 50.0 110.751 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.26 -48.16 30.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 25.0 111.547 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.37 -28.13 63.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 50.0 110.917 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -48.34 78.23 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.733 -0.604 . . . . 50.0 110.222 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.57 -22.5 56.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.559 -0.713 . . . . 50.0 111.706 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -26.29 57.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.169 0.293 . . . . 25.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.46 -44.8 3.82 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.333 1.605 . . . . 50.0 115.333 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -61.28 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m 41.98 32.04 0.27 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 117.132 2.271 . . . . 50.0 117.132 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.13 -57.7 0.06 OUTLIER Glycine 0 C--N 1.336 0.567 0 CA-C-O 122.639 1.133 . . . . 50.0 112.688 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -75.51 -10.02 59.08 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 115.009 1.485 . . . . 50.0 115.009 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -22.12 66.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.899 -1.501 . . . . 50.0 109.645 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.01 -36.87 8.44 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.46 -3.78 26.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 116.113 1.894 . . . . 25.0 116.113 -174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.88 145.33 44.91 Favored 'General case' 0 N--CA 1.392 -3.331 0 C-N-CA 123.095 0.558 . . . . 75.0 110.856 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -125.62 -28.18 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.801 0.297 . . . . 50.0 111.801 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.07 89.56 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.372 -0.973 . . . . 50.0 108.372 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.91 -34.25 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.201 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.24 -38.32 81.69 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.687 -0.805 . . . . 50.0 110.349 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -54.22 30.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.09 -36.39 76.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.903 -0.589 . . . . 50.0 111.021 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.1 -47.52 79.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.186 0.517 . . . . 50.0 110.764 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -70.84 -27.27 63.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.239 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -78.79 -44.81 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.571 -0.529 . . . . 50.0 109.571 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 43.2 mtm -61.99 -42.6 99.32 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 119.507 -0.877 . . . . 50.0 110.819 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -72.19 -28.97 63.55 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.969 -0.56 . . . . 50.0 111.646 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -67.89 -43.72 78.67 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.434 -1.691 . . . . 50.0 106.434 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -33.42 74.45 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.145 -0.934 . . . . 50.0 109.931 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -68.19 -34.27 75.98 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.581 -0.7 . . . . 25.0 112.51 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.86 -35.3 32.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.116 0.96 . . . . 50.0 110.506 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -102.13 7.6 40.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.374 -1.284 . . . . 50.0 113.057 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.25 -28.4 69.13 Favored Glycine 0 CA--C 1.503 -0.66 0 CA-C-N 115.952 -0.567 . . . . 25.0 114.512 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -0.65 34.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.28 -168.62 35.9 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 108.518 -1.833 . . . . 50.0 108.518 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -137.3 154.96 49.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.498 -1.351 . . . . 50.0 113.972 -171.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.48 -179.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 114.143 -1.39 . . . . 50.0 111.151 -171.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.98 -174.45 3.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.971 0.35 . . . . 50.0 110.894 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.96 -42.64 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.944 0.35 . . . . 50.0 111.944 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.28 -39.68 94.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.5 -31.99 70.58 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.508 -0.877 . . . . 50.0 110.987 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -64.65 -42.92 95.08 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.839 -0.744 . . . . 50.0 109.563 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -57.58 -42.74 81.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.932 -0.577 . . . . 50.0 112.482 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.85 -25.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 120.834 -1.166 . . . . 50.0 110.286 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.53 -28.53 67.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 50.0 109.918 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 m -84.02 -32.88 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 118.823 -1.151 . . . . 50.0 108.984 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.997 0.739 . . . . 25.0 112.997 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.96 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 25.0 109.7 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.29 -33.72 49.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.496 -0.32 . . . . 50.0 110.533 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -44.72 87.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.36 -33.9 62.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.794 -0.762 . . . . 50.0 109.48 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.71 -31.86 71.25 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 122.062 -0.399 . . . . 25.0 110.124 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.09 -49.68 13.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.947 0.721 . . . . 50.0 112.947 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -104.22 -40.32 6.18 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -21.07 63.11 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 122.061 -0.399 . . . . 75.0 110.367 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.13 -22.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.897 2.184 . . . . 50.0 116.897 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--N 1.316 -0.877 0 O-C-N 121.635 -0.666 . . . . 50.0 112.28 176.514 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.214 -0.79 0 CA-C-O 120.488 0.185 . . . . 25.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -26.42 68.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.637 -0.505 . . . . 50.0 109.637 170.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -31.31 70.94 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.374 0.509 . . . . 50.0 112.374 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.15 -30.11 43.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.107 0.78 . . . . 50.0 113.107 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -21.91 62.89 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -54.63 32.93 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.48 -28.14 66.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.766 0.654 . . . . 50.0 112.766 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.99 -30.18 70.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.266 0.555 . . . . 50.0 110.649 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -74.46 -37.79 63.14 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.661 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -37.05 85.64 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.672 -0.862 . . . . 50.0 108.672 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.12 -38.92 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.13 -0.693 . . . . 50.0 109.13 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -46.21 74.87 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.977 0.173 . . . . 50.0 111.25 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -84.84 -31.66 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 112.491 0.552 . . . . 50.0 112.491 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.62 -55.98 14.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.404 1.097 . . . . 50.0 110.557 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -74.22 -15.99 60.98 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.756 -1.565 . . . . 50.0 111.25 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.64 81.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.621 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -100.01 -0.92 38.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 50.0 112.169 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -69.11 157.37 37.0 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.99 -3.85 58.74 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 114.934 -1.03 . . . . 25.0 112.67 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -68.31 -24.78 64.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.349 -0.501 . . . . 50.0 109.687 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.56 -27.44 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.516 0.674 . . . . 50.0 109.909 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.57 -30.14 4.31 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.505 -0.77 . . . . 50.0 111.827 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.04 155.88 23.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 112.178 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -77.26 -27.63 53.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.397 1.079 . . . . 25.0 112.723 -172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -103.93 9.09 36.85 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.471 -1.241 . . . . 50.0 110.822 -171.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -135.36 157.63 46.42 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-N 114.221 -1.354 . . . . 50.0 107.872 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -157.15 153.1 27.18 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 107.97 -1.122 . . . . 50.0 107.97 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -71.28 153.02 42.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.621 -0.511 . . . . 50.0 109.621 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -56.27 -41.86 76.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.486 -0.325 . . . . 50.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.65 -37.87 82.95 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -63.79 -38.14 89.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.444 0.64 . . . . 50.0 109.942 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.53 -37.07 84.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 50.0 110.575 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.93 -35.59 81.04 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.91 -46.45 44.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.77 -28.69 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.788 -0.57 . . . . 50.0 111.469 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.18 -43.93 96.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.797 -0.564 . . . . 50.0 109.79 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.03 -22.34 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.816 -0.754 . . . . 50.0 111.331 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -25.58 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.628 -0.429 . . . . 25.0 111.556 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.07 -45.22 4.58 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.866 1.061 . . . . 50.0 113.866 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -64.11 1.22 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.08 0.4 . . . . 50.0 112.08 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m 43.89 30.16 0.37 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.237 1.569 . . . . 50.0 115.237 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.28 -55.51 0.1 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.719 0.622 . . . . 50.0 113.241 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -20.92 62.77 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 113.833 1.049 . . . . 50.0 113.833 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -24.79 67.94 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.023 -0.99 . . . . 50.0 110.408 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -96.28 -21.96 17.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 122.74 1.257 . . . . 25.0 108.912 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.74 4.33 14.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.246 -1.343 . . . . 25.0 111.947 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -78.92 114.24 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 50.0 110.861 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.32 -26.81 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.298 -0.41 . . . . 50.0 110.436 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.53 94.76 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.53 0.681 . . . . 50.0 111.241 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.88 -33.69 63.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.133 -0.939 . . . . 50.0 111.383 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.8 -40.49 83.87 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.377 -0.929 . . . . 50.0 109.91 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.18 -50.15 67.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.314 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.9 -31.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.584 -0.447 . . . . 50.0 110.466 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.82 -25.32 58.94 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.889 -0.507 . . . . 50.0 111.291 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -83.54 -43.41 15.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.135 -0.353 . . . . 25.0 111.257 176.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.9 -37.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.323 0.861 . . . . 50.0 113.323 -172.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.4 mmm -64.26 -43.51 94.63 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.918 -1.113 . . . . 50.0 109.255 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 56' ' ' LYS . 18.8 pttp -70.38 -27.44 64.31 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 116.05 -0.523 . . . . 50.0 111.507 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -49.58 66.29 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -29.77 70.56 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.211 -0.904 . . . . 50.0 111.445 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.32 -34.2 74.29 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.604 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -88.94 -28.66 20.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.621 0.724 . . . . 50.0 112.552 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -108.13 6.87 27.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.968 -1.015 . . . . 50.0 113.091 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.0 -32.15 66.21 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.532 0.573 . . . . 25.0 114.532 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.33 6.74 28.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.86 -160.56 35.05 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.311 -1.916 . . . . 50.0 108.311 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.51 145.44 51.16 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.967 0.728 . . . . 50.0 112.967 -173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -147.84 177.1 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 115.812 -0.631 . . . . 50.0 110.422 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.65 -174.21 3.24 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.211 -0.306 . . . . 50.0 110.793 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.16 -41.47 75.5 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -65.85 -39.22 90.57 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.16 -29.33 67.32 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.407 -0.808 . . . . 50.0 110.804 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -68.94 -41.55 77.92 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.434 -0.791 . . . . 50.0 108.996 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -38.62 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.495 -0.775 . . . . 50.0 111.875 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.58 -40.16 79.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 50.0 108.663 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.79 -35.51 80.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.71 -0.677 . . . . 50.0 112.048 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.36 -34.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.403 -0.919 . . . . 50.0 108.982 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -20.58 61.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.017 -0.427 . . . . 25.0 111.621 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.24 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.381 0.61 . . . . 25.0 109.368 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.58 -37.27 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -43.51 75.42 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.977 -178.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.39 -33.21 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.487 -0.885 . . . . 50.0 110.18 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.96 -25.0 61.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 120.103 -0.639 . . . . 25.0 109.344 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.6 t -84.27 -48.56 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -109.95 -35.61 6.1 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.039 1.496 . . . . 25.0 115.039 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -20.8 61.75 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.523 -0.547 . . . . 75.0 109.523 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -42.59 -20.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.558 2.059 . . . . 50.0 116.558 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--N 1.314 -0.959 0 O-C-N 121.588 -0.695 . . . . 50.0 112.499 177.166 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 121.359 0.599 . . . . 25.0 110.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.05 -36.67 83.87 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.648 -0.657 . . . . 50.0 110.081 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -31.96 73.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.927 1.084 . . . . 50.0 113.927 -175.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.23 -30.51 54.58 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.491 -0.756 . . . . 75.0 111.669 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 m -71.27 -20.34 62.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.46 -56.27 18.34 Favored 'General case' 0 N--CA 1.442 -0.853 0 O-C-N 121.394 -0.816 . . . . 25.0 112.219 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -60.38 -26.36 66.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.928 0.714 . . . . 50.0 112.928 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -63.84 -32.84 74.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.336 0.589 . . . . 50.0 110.632 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 p -74.2 -39.14 63.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.414 -0.514 . . . . 25.0 111.056 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -37.62 88.25 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.45 -40.87 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -45.62 72.66 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.975 0.172 . . . . 50.0 111.349 -177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.3 -31.07 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.947 0.721 . . . . 50.0 112.947 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.66 -57.5 7.95 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 122.475 1.131 . . . . 50.0 110.749 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -19.81 63.52 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.88 -1.509 . . . . 50.0 110.689 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.8 94.37 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.234 -0.587 . . . . 25.0 110.797 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -97.08 -0.99 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.44 -0.346 . . . . 50.0 111.604 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -65.42 152.79 43.05 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.33 -7.48 54.23 Favored Glycine 0 C--O 1.222 -0.62 0 CA-C-N 115.39 -0.823 . . . . 25.0 113.031 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -67.92 -19.51 65.0 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.564 -0.374 . . . . 50.0 111.118 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.31 -26.37 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.418 0.627 . . . . 50.0 110.731 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -28.91 4.62 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 50.0 111.047 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -121.03 157.39 30.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 171.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -93.26 -15.32 25.97 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -90.44 6.17 44.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.825 1.298 . . . . 50.0 108.617 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -134.51 159.37 41.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.025 -1.898 . . . . 50.0 107.388 -173.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -158.81 149.47 19.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.606 -1.257 . . . . 50.0 107.606 171.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.0 p -70.59 151.2 45.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -56.06 -41.39 75.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 50.0 111.449 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -59.66 -38.84 82.55 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.52 -38.56 91.6 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.335 0.588 . . . . 50.0 109.787 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.47 -37.54 85.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.839 -0.619 . . . . 50.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.989 -0.445 . . . . 50.0 110.365 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.91 -45.34 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.853 -0.158 . . . . 25.0 111.007 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.44 -29.41 64.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.725 -0.61 . . . . 50.0 110.664 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.37 -42.04 98.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.615 -0.678 . . . . 50.0 110.112 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.53 -22.65 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.107 -0.637 . . . . 50.0 110.333 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -32.47 55.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.745 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -101.24 -45.27 5.41 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.447 1.647 . . . . 50.0 115.447 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 -66.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.169 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.85 34.59 0.28 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.008 1.484 . . . . 50.0 115.008 -173.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.9 -56.69 0.08 OUTLIER Glycine 0 C--O 1.222 -0.607 0 CA-C-O 121.507 0.504 . . . . 50.0 113.377 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -23.2 63.94 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.557 0.947 . . . . 50.0 113.557 -173.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -23.64 66.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.841 -1.072 . . . . 50.0 110.661 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -106.73 5.51 28.8 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.349 1.071 . . . . 25.0 109.583 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.44 5.59 27.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.231 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.57 121.05 24.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.994 -0.548 . . . . 75.0 110.38 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -92.72 -30.1 15.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.537 . . . . 50.0 110.584 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -74.4 99.37 3.5 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.281 0.562 . . . . 50.0 112.074 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.94 -34.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.558 -0.746 . . . . 50.0 112.339 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.64 -37.79 76.9 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.22 -0.992 . . . . 50.0 109.703 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.35 61.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.56 -36.14 76.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.407 -0.517 . . . . 50.0 110.812 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.65 -45.29 79.49 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.729 -0.388 . . . . 50.0 110.575 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -77.18 -31.55 55.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -82.63 -39.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.731 -0.213 . . . . 50.0 111.329 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -66.32 -41.32 89.82 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 118.807 -1.157 . . . . 50.0 108.717 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.46 62.49 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.222 0.453 . . . . 50.0 112.222 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.03 -52.05 12.03 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 105.954 -1.869 . . . . 50.0 105.954 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -34.74 78.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.21 -0.904 . . . . 50.0 111.376 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -88.18 -30.53 19.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.72 0.771 . . . . 50.0 112.203 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -103.03 8.21 38.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 50.0 112.712 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.15 64.97 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 114.597 0.599 . . . . 25.0 114.597 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -84.06 5.35 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.989 0.395 . . . . 25.0 111.858 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.94 -159.6 34.68 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.909 -1.676 . . . . 50.0 108.909 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.38 147.48 51.79 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 -173.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.11 175.78 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -126.66 -174.12 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.76 -42.41 83.96 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.991 0.367 . . . . 50.0 111.991 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.41 -27.21 66.0 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.652 -0.419 . . . . 50.0 110.788 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -68.08 -42.14 80.82 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.809 -0.756 . . . . 50.0 109.191 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.63 -35.11 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.271 -0.422 . . . . 50.0 110.109 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.93 -39.54 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.537 -0.727 . . . . 50.0 109.338 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.45 -36.06 82.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.755 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.64 -31.88 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 119.325 -0.95 . . . . 50.0 108.872 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.12 -20.75 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.819 -0.551 . . . . 25.0 112.338 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.58 72.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.18 -35.66 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -66.72 -46.78 74.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.49 -35.02 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.055 -0.658 . . . . 50.0 109.652 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.3 -26.28 55.68 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.909 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 t -86.45 -44.13 12.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.698 0.629 . . . . 50.0 112.698 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -116.91 -34.81 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -77.88 -15.89 58.68 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.245 -0.407 . . . . 75.0 111.113 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -46.16 -15.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 117.056 2.243 . . . . 50.0 117.056 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 . . . . . 0 C--N 1.32 -0.715 0 C-N-CA 123.777 0.831 . . . . 50.0 111.131 174.252 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -28.87 70.28 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.823 -0.351 . . . . 50.0 110.305 174.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -27.3 69.19 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.172 0.434 . . . . 50.0 112.172 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.43 -34.3 58.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 121.535 0.684 . . . . 50.0 112.016 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -22.48 62.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.567 0.699 . . . . 25.0 109.361 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.06 4.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.979 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.1 -27.28 65.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.365 0.876 . . . . 50.0 113.365 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.59 -32.89 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.418 0.627 . . . . 50.0 110.933 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p -75.54 -36.95 60.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.01 0.433 . . . . 25.0 111.37 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -38.44 90.57 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.519 -1.289 . . . . 50.0 107.519 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.53 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.629 -0.508 . . . . 50.0 109.629 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -47.44 72.11 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 119.754 -0.165 . . . . 50.0 111.285 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG21 ' HH ' ' A' ' 74' ' ' TYR . 34.3 m -83.64 -31.24 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.383 0.611 . . . . 50.0 112.392 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.87 -56.73 11.65 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.641 1.21 . . . . 50.0 110.927 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.31 -18.04 61.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.874 -1.512 . . . . 50.0 111.117 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.07 91.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.071 -0.651 . . . . 25.0 109.671 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -95.11 -4.5 46.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -61.95 154.88 25.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.23 -2.76 43.68 Favored Glycine 0 C--O 1.222 -0.615 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.186 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -66.16 -33.65 76.26 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.318 0.58 . . . . 50.0 109.788 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -77.25 -29.47 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.722 -1.126 . . . . 50.0 110.991 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -30.83 4.1 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.149 -0.78 . . . . 50.0 111.149 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.43 166.34 11.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.242 0.544 . . . . 25.0 109.8 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -84.23 -35.25 23.58 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 123.54 0.736 . . . . 25.0 111.98 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.85 5.02 52.31 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.551 1.167 . . . . 50.0 109.357 -169.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -128.57 152.51 48.23 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 113.372 -1.74 . . . . 50.0 106.774 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mt -153.64 159.23 42.02 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 105.666 -1.976 . . . . 50.0 105.666 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.3 p -82.35 151.28 26.76 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.085 -0.646 . . . . 50.0 109.414 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -57.65 -40.92 80.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.64 0.257 . . . . 50.0 110.857 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -57.84 -37.1 73.27 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.889 0.7 . . . . 50.0 112.889 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -67.42 -41.34 84.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.475 0.655 . . . . 50.0 109.896 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.79 -38.27 90.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 50.0 110.774 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.21 -41.0 87.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.009 0.433 . . . . 50.0 111.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.79 -37.73 24.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.964 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.0 -31.42 70.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.781 -0.768 . . . . 50.0 109.484 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.71 -47.34 84.04 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.909 -0.494 . . . . 50.0 109.883 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -75.87 -22.41 56.21 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.033 -0.667 . . . . 50.0 111.56 -175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -28.78 31.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.06 -40.47 9.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.173 0.511 . . . . 50.0 112.212 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.88 -62.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.723 -0.671 . . . . 50.0 111.177 -176.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 49.28 23.09 0.76 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.698 1.74 . . . . 50.0 115.698 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.54 -57.2 0.11 Allowed Glycine 0 C--O 1.226 -0.373 0 CA-C-O 122.009 0.783 . . . . 50.0 112.829 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.23 -18.56 62.45 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 114.054 1.131 . . . . 50.0 114.054 -173.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -25.79 68.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.177 -0.92 . . . . 50.0 109.455 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -99.02 -21.42 16.23 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.372 1.082 . . . . 25.0 109.143 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.83 -12.65 61.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.014 -0.994 . . . . 25.0 110.994 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.06 142.18 58.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 50.0 110.906 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -125.48 -25.92 3.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.751 0.42 . . . . 50.0 111.653 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -73.13 97.2 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.913 0.387 . . . . 50.0 111.295 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.89 -34.02 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 122.979 0.511 . . . . 50.0 111.667 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.06 -41.6 81.75 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.063 -1.055 . . . . 50.0 109.799 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.72 68.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.692 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.79 -33.44 61.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.287 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.15 -39.27 68.89 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.886 -0.413 . . . . 50.0 109.886 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -37.38 70.84 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.73 -42.11 20.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.025 -0.534 . . . . 50.0 111.11 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.46 -37.18 86.1 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.345 -0.942 . . . . 50.0 109.575 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -25.08 60.46 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 120.373 -0.531 . . . . 50.0 112.152 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -73.58 -48.16 34.91 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.386 -1.709 . . . . 50.0 106.386 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -31.57 72.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.329 -0.85 . . . . 50.0 110.958 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -35.68 81.89 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.444 -0.785 . . . . 25.0 112.101 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.34 -29.76 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.565 0.698 . . . . 50.0 112.102 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.63 3.06 26.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.672 0.989 . . . . 50.0 113.672 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -28.72 67.43 Favored Glycine 0 CA--C 1.505 -0.578 0 CA-C-N 116.217 -0.447 . . . . 25.0 113.402 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -1.76 44.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.28 34.25 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 109.156 -1.578 . . . . 50.0 109.156 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.47 145.71 45.06 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.144 -1.528 . . . . 50.0 112.926 -170.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.1 -178.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.726 -1.125 . . . . 50.0 110.003 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.75 -174.26 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.428 0.291 . . . . 50.0 110.881 -173.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.711 0.634 . . . . 50.0 112.711 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -66.27 -40.58 90.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.453 -0.573 . . . . 50.0 109.453 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.238 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.416 ' HH ' HG21 ' A' ' 14' ' ' VAL . 23.0 t80 -66.69 -42.9 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.716 -0.615 . . . . 50.0 110.308 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.97 -29.1 46.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 122.026 -0.421 . . . . 50.0 111.569 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.04 -41.51 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.27 -34.91 78.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 50.0 111.994 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.84 -34.26 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 119.425 -0.91 . . . . 50.0 109.579 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.8 -20.73 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.799 -0.563 . . . . 25.0 111.832 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.44 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.357 0.599 . . . . 25.0 109.518 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.99 -37.72 72.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -44.46 78.19 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.87 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.23 -32.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.659 -0.817 . . . . 50.0 110.654 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.52 59.91 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 121.939 -0.476 . . . . 25.0 110.263 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -83.89 -53.39 5.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.04 0.756 . . . . 50.0 113.04 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -101.55 -43.75 5.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.277 1.214 . . . . 25.0 114.277 -170.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -20.96 64.02 Favored 'General case' 0 C--O 1.208 -1.079 0 N-CA-C 109.445 -0.576 . . . . 75.0 109.445 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -41.68 -24.21 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 117.593 2.442 . . . . 50.0 117.593 175.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 C--N 1.313 -0.986 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.732 177.125 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.036 0.446 . . . . 25.0 110.138 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.431 -0.793 . . . . 50.0 108.957 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -27.89 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.029 -0.532 . . . . 50.0 112.42 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.04 -29.7 31.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 120.013 -0.675 . . . . 75.0 111.228 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.4 m -67.23 -22.22 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.85 27.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.892 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.6 ptp -62.36 -25.25 67.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.431 0.53 . . . . 50.0 112.431 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.38 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.61 0.719 . . . . 50.0 110.658 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 p -74.98 -38.46 61.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.888 -0.508 . . . . 25.0 111.204 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -36.92 84.2 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.202 -1.036 . . . . 50.0 108.202 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.12 -40.75 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -45.48 73.92 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.044 0.215 . . . . 50.0 111.381 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.4 HG21 ' HH ' ' B' ' 74' ' ' TYR . 32.2 m -85.58 -31.24 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.518 0.562 . . . . 50.0 112.518 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.48 -56.11 10.87 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 122.275 1.036 . . . . 50.0 111.876 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -69.52 -18.95 63.72 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.133 -1.394 . . . . 50.0 110.41 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.28 86.06 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.349 -0.54 . . . . 25.0 110.134 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -103.71 2.5 33.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 97.5 p -64.64 155.9 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.539 0.685 . . . . 25.0 112.491 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.05 66.15 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.526 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -60.95 -29.73 69.81 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.788 -0.242 . . . . 50.0 110.726 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -112.2 41.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.898 2.285 . . . . 50.0 115.137 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.85 -30.72 6.75 Favored Glycine 0 C--N 1.289 -2.044 0 CA-C-N 112.558 -2.11 . . . . 50.0 116.317 167.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.51 153.86 48.39 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -18.87 62.38 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 115.292 1.59 . . . . 25.0 115.292 -174.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.74 9.04 19.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.495 0.664 . . . . 50.0 110.28 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -123.13 152.89 40.68 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -157.54 148.1 21.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.859 -1.904 . . . . 50.0 105.859 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -81.15 153.51 27.21 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.339 0.59 . . . . 50.0 111.694 -176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.52 -39.34 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.513 -0.767 . . . . 50.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -55.98 -41.76 75.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.522 0.564 . . . . 50.0 112.522 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.85 -39.83 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.364 0.602 . . . . 50.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.54 -38.04 88.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.138 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -62.19 -38.53 89.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.263 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.26 -39.21 49.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.718 -0.393 . . . . 25.0 112.055 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.29 -30.11 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.649 -0.82 . . . . 50.0 110.475 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.95 -43.01 97.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.825 -0.547 . . . . 50.0 110.452 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -78.41 -22.47 47.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.891 -0.506 . . . . 50.0 110.885 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -28.32 29.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -99.28 -45.27 5.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.341 1.237 . . . . 50.0 114.341 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -61.19 1.72 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.253 -175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.25 30.71 2.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.306 1.595 . . . . 50.0 115.306 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.27 -47.58 0.08 OUTLIER Glycine 0 C--O 1.217 -0.958 0 CA-C-O 122.435 1.019 . . . . 50.0 113.718 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.34 -18.43 61.18 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 120.628 -1.513 . . . . 50.0 113.333 -176.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -24.19 67.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.171 -0.922 . . . . 50.0 110.072 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.14 -13.36 14.38 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 122.147 0.975 . . . . 25.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.89 -9.7 58.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.394 177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.69 142.44 58.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.91 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -122.9 -25.86 4.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.576 0.35 . . . . 50.0 111.059 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -72.3 106.29 4.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 50.0 111.502 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.11 -33.94 67.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.38 -0.827 . . . . 50.0 111.966 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 11.2 t70 -69.78 -37.17 76.27 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.577 -0.849 . . . . 50.0 109.948 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.45 57.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.61 -37.68 80.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.33 -0.548 . . . . 50.0 110.311 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.26 -43.13 78.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.763 -0.585 . . . . 50.0 112.149 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.402 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 1.9 mptm? -76.68 -35.18 58.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.771 0.285 . . . . 25.0 111.771 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.13 -36.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.087 0.403 . . . . 50.0 112.087 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 38.6 mmt -69.25 -36.14 76.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.443 -1.303 . . . . 50.0 109.334 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -71.2 -29.46 65.18 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.819 -0.753 . . . . 50.0 110.392 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -46.03 67.2 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 -175.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -28.77 70.21 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.589 -0.732 . . . . 50.0 111.132 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.86 -38.77 76.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.225 0.536 . . . . 25.0 111.586 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.43 -36.41 45.6 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.205 1.002 . . . . 50.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -105.06 5.43 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.998 -1.456 . . . . 50.0 113.942 -168.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.02 -34.1 71.36 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.219 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.64 4.27 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.16 -160.9 36.97 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 108.037 -2.025 . . . . 50.0 108.037 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 147.46 38.24 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.288 0.566 . . . . 50.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.65 -178.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.771 -1.104 . . . . 50.0 108.564 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.49 -174.03 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 50.0 110.705 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.32 -41.4 79.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.7 -39.83 94.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.462 . . . . 50.0 109.754 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.28 -31.54 71.06 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.467 -0.493 . . . . 50.0 110.685 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.4 ' HH ' HG21 ' B' ' 14' ' ' VAL . 18.6 t80 -68.29 -40.76 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.722 0.773 . . . . 50.0 108.929 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.1 t -59.87 -37.47 72.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.555 -0.748 . . . . 50.0 111.376 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.52 -38.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.33 -36.56 84.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.296 -0.411 . . . . 50.0 112.04 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.3 -32.43 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 119.37 -0.932 . . . . 50.0 109.128 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.73 -20.68 60.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.84 74.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.82 -36.87 70.35 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -45.38 75.28 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.81 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.22 -32.34 53.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.88 -0.728 . . . . 50.0 110.527 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.84 66.38 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.9 t -83.33 -51.54 7.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -107.83 -32.83 7.45 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.721 1.749 . . . . 25.0 115.721 -168.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -16.0 59.46 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 121.683 -0.636 . . . . 75.0 109.424 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -40.72 -20.72 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 117.323 2.342 . . . . 50.0 117.323 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 . . . . . 0 C--N 1.318 -0.778 0 O-C-N 121.884 -0.51 . . . . 50.0 112.274 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -25.87 20.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.685 0.994 . . . . 50.0 113.685 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.22 71.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.86 -22.52 36.91 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.601 -0.687 . . . . 50.0 112.103 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -22.06 62.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.43 0.633 . . . . 25.0 109.92 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.61 -57.06 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -32.2 65.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.608 0.595 . . . . 50.0 112.608 -177.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.98 -35.18 72.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.105 0.409 . . . . 50.0 112.105 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -72.93 -38.64 66.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 25.0 110.854 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -38.45 89.28 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.307 -0.997 . . . . 50.0 108.307 176.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.6 -40.79 85.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -46.54 74.11 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.958 0.161 . . . . 50.0 111.395 -178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.05 -29.65 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 112.872 0.693 . . . . 50.0 112.872 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.33 -57.41 6.68 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.444 1.116 . . . . 50.0 110.319 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.54 -16.43 62.88 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.865 -1.516 . . . . 50.0 111.634 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.32 89.75 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.448 -0.501 . . . . 25.0 109.809 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -99.8 -6.51 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.054 0.761 . . . . 50.0 113.054 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.402 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 56.6 m -63.46 149.8 45.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -173.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.65 -10.31 57.49 Favored Glycine 0 N--CA 1.458 0.149 0 CA-C-N 114.667 -1.151 . . . . 25.0 112.71 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -61.63 -27.08 68.4 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.173 -0.306 . . . . 50.0 110.173 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -116.46 42.08 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 125.091 2.377 . . . . 50.0 114.381 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.09 -30.87 6.33 Favored Glycine 0 C--N 1.291 -1.918 0 CA-C-N 112.408 -2.178 . . . . 50.0 117.389 165.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -129.55 158.82 38.2 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -68.05 -29.47 68.44 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 125.498 1.519 . . . . 25.0 113.88 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -109.94 11.21 24.18 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.128 0.966 . . . . 50.0 110.576 -174.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -130.21 155.13 46.78 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 114.009 -1.451 . . . . 50.0 107.831 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 19' ' ' SER . 3.7 mt -153.79 169.26 23.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 105.122 -2.177 . . . . 50.0 105.122 177.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -97.25 155.36 16.89 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.403 -0.592 . . . . 50.0 109.403 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -56.94 -41.03 77.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 50.0 111.254 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -54.08 -40.1 66.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 113.286 0.847 . . . . 50.0 113.286 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -69.47 -40.01 77.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.432 0.634 . . . . 50.0 110.576 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.6 -36.97 85.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 50.0 110.726 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.98 -37.9 84.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.564 -0.289 . . . . 50.0 110.661 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -80.31 -43.11 21.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.95 -29.85 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.463 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.36 -48.23 76.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -76.44 -22.63 54.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.647 -0.658 . . . . 50.0 111.659 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -28.42 54.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -100.23 -45.39 5.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.553 0.692 . . . . 50.0 112.107 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -60.32 2.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 50.0 110.406 -174.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.04 23.0 0.45 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.158 1.54 . . . . 50.0 115.158 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.34 -57.22 0.11 Allowed Glycine 0 C--O 1.227 -0.301 0 CA-C-O 121.799 0.666 . . . . 50.0 112.736 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -18.96 62.89 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 114.016 1.117 . . . . 50.0 114.016 -173.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -25.39 68.3 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.23 -0.895 . . . . 50.0 109.595 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -101.42 -16.61 16.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.893 1.33 . . . . 25.0 109.181 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.88 -12.67 61.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.558 -1.201 . . . . 25.0 110.486 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.98 124.98 23.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.408 -0.36 . . . . 50.0 111.227 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -113.3 -20.57 11.33 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.606 0.362 . . . . 50.0 111.108 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -76.0 94.9 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.396 0.617 . . . . 50.0 111.276 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.27 -34.72 65.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.608 -0.724 . . . . 50.0 111.007 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.48 -31.34 71.42 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.188 0.518 . . . . 50.0 110.889 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.66 -53.81 7.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.374 . . . . 25.0 110.021 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.14 -33.85 63.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 C-N-CA 120.548 -0.461 . . . . 50.0 112.026 -173.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.24 -39.14 92.3 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.739 -0.601 . . . . 50.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -35.38 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.4 -38.08 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.102 0.408 . . . . 50.0 112.102 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.07 -36.02 77.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 118.605 -1.238 . . . . 50.0 109.762 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -70.95 -30.07 66.27 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.226 -0.59 . . . . 50.0 110.28 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.25 -45.7 69.1 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 107.018 -1.475 . . . . 50.0 107.018 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -30.68 71.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.781 -0.645 . . . . 50.0 110.836 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.5 -37.88 77.37 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.067 -0.396 . . . . 25.0 111.711 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.53 -13.49 32.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -117.78 8.55 12.74 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.276 0.843 . . . . 50.0 113.276 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.18 65.03 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.541 -0.299 . . . . 25.0 113.836 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.78 2.64 41.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.09 -171.74 46.77 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 107.061 -2.416 . . . . 50.0 107.061 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.99 148.54 50.09 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.819 1.044 . . . . 50.0 113.819 -172.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.0 174.93 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.358 -1.292 . . . . 50.0 109.964 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.42 -174.09 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.482 -0.562 . . . . 50.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -57.42 -37.19 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.793 0.664 . . . . 50.0 112.793 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -67.86 -38.71 83.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 50.0 110.134 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.54 -30.04 66.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.754 -0.591 . . . . 50.0 110.075 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.78 -44.68 73.14 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.199 -0.938 . . . . 50.0 110.565 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -31.54 53.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.848 -0.532 . . . . 50.0 111.774 -177.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.87 -27.21 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 121.315 -0.866 . . . . 50.0 109.937 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.02 -28.81 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.024 -0.362 . . . . 50.0 110.024 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -83.62 -32.1 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 118.771 -1.171 . . . . 50.0 109.245 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -20.69 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.136 -0.352 . . . . 25.0 110.896 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.81 76.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.431 0.634 . . . . 25.0 109.74 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -70.76 -38.09 73.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -45.42 77.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 115.562 -0.745 . . . . 25.0 111.524 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.9 m -70.32 -31.11 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.44 -0.904 . . . . 50.0 111.071 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.43 60.81 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.273 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 t -91.32 -48.94 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -108.01 -45.76 3.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -169.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -67.95 -20.42 65.06 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 108.721 -0.844 . . . . 75.0 108.721 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -41.23 -21.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 117.807 2.521 . . . . 50.0 117.807 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 59.9 m-85 . . . . . 0 C--N 1.314 -0.972 0 CA-C-N 115.679 -0.692 . . . . 50.0 111.584 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.11 -28.65 42.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.534 0.939 . . . . 50.0 113.534 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.53 -26.84 45.87 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.501 -0.749 . . . . 75.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -65.84 -22.16 66.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.4 19.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -60.47 -25.79 66.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.522 0.564 . . . . 50.0 112.522 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -63.16 -32.97 74.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.712 0.768 . . . . 50.0 110.866 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.6 p -75.28 -39.1 60.03 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.925 -0.485 . . . . 25.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.9 -37.09 83.72 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 108.169 -1.048 . . . . 50.0 108.169 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -59.24 -43.04 88.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -44.1 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.516 0.51 . . . . 50.0 111.627 -176.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.421 HG21 ' HH ' ' B' ' 74' ' ' TYR . 23.0 m -86.82 -32.13 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 113.02 0.748 . . . . 50.0 113.02 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.24 -57.79 6.05 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.712 1.244 . . . . 50.0 110.59 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -72.27 -16.06 61.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.676 -1.602 . . . . 50.0 112.176 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.82 85.21 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 25.0 109.933 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -103.92 -2.3 26.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.257 0.836 . . . . 50.0 113.257 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.74 154.01 40.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 -8.33 34.65 Favored Glycine 0 C--O 1.223 -0.562 0 CA-C-N 115.049 -0.978 . . . . 25.0 112.754 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.81 -18.21 62.1 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -28.51 32.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.827 0.822 . . . . 50.0 108.878 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.62 -30.81 3.91 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.346 -0.843 . . . . 50.0 112.797 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.77 155.04 20.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.394 1.097 . . . . 25.0 111.136 170.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -12.49 59.46 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -172.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 19.6 m-85 -110.36 14.74 22.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.926 0.869 . . . . 50.0 109.291 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.48 158.32 44.66 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.683 -1.144 . . . . 50.0 108.568 -172.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -153.29 163.52 39.75 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 108.002 -1.11 . . . . 50.0 108.002 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.4 p -88.58 152.64 21.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.031 -1.1 . . . . 50.0 108.031 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.14 -41.99 80.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 50.0 111.474 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -58.06 -34.67 70.37 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.733 1.012 . . . . 50.0 113.733 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -67.3 -38.48 85.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.561 0.696 . . . . 50.0 110.636 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.87 -36.47 84.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.395 -0.821 . . . . 50.0 110.097 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 ttpp -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.889 -0.141 . . . . 50.0 110.783 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.03 -44.33 31.21 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.389 -0.525 . . . . 25.0 112.226 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.71 -31.71 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.011 -0.676 . . . . 50.0 110.394 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.65 96.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.091 -0.38 . . . . 50.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -79.25 -22.48 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.732 . . . . 50.0 111.049 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -32.74 37.36 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.281 0.363 . . . . 25.0 111.452 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.79 -44.24 8.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.963 0.887 . . . . 50.0 113.367 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.56 -65.52 1.0 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.424 -0.807 . . . . 50.0 111.804 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.3 37.18 1.84 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.895 1.072 . . . . 50.0 113.895 -177.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.47 -45.3 0.06 OUTLIER Glycine 0 C--O 1.225 -0.426 0 N-CA-C 111.743 -0.543 . . . . 50.0 111.743 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -15.97 62.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.921 -0.752 . . . . 50.0 112.982 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -21.46 64.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.23 -0.895 . . . . 50.0 110.436 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.21 -31.05 10.3 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.667 1.222 . . . . 25.0 109.998 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 -28.17 66.61 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.999 -1.0 . . . . 25.0 113.353 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.68 138.35 58.34 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.706 -0.679 . . . . 75.0 111.15 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -119.61 -31.5 4.55 Favored 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 123.328 0.651 . . . . 50.0 112.388 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -75.64 92.48 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.071 0.463 . . . . 50.0 110.12 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.88 -33.94 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.68 -38.54 80.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.619 -0.833 . . . . 50.0 110.637 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.56 44.19 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.93 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.755 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.71 -43.73 88.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.458 . . . . 50.0 110.429 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -71.79 -30.06 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.051 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.12 -41.9 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 110.171 -0.307 . . . . 50.0 110.171 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -64.72 -39.31 93.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.347 -0.846 . . . . 50.0 110.796 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -26.65 61.4 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 119.756 -0.778 . . . . 50.0 111.299 177.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -46.85 72.5 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.982 -1.859 . . . . 50.0 105.982 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -26.0 68.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.892 -1.049 . . . . 50.0 111.811 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.98 -39.79 69.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.53 0.681 . . . . 25.0 111.238 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -79.87 -34.93 38.79 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.326 1.06 . . . . 50.0 110.955 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -105.91 6.21 31.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.061 -1.427 . . . . 50.0 113.391 -169.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.23 -32.5 63.61 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 114.24 0.456 . . . . 25.0 114.24 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -82.51 1.03 39.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.94 -162.76 37.97 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 108.7 -1.76 . . . . 50.0 108.7 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.68 149.94 51.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.835 0.679 . . . . 50.0 112.835 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.95 174.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.506 -1.225 . . . . 50.0 109.486 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -128.93 -173.96 3.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.848 -0.797 . . . . 50.0 108.848 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.65 -40.54 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -61.98 -42.83 99.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.936 -0.306 . . . . 50.0 110.469 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.09 -30.4 70.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.749 -0.381 . . . . 50.0 110.746 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.421 ' HH ' HG21 ' B' ' 14' ' ' VAL . 17.8 t80 -67.31 -41.52 85.21 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.034 -0.666 . . . . 50.0 109.472 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.88 -37.48 76.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.663 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.7 -38.15 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.83 -37.38 87.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.987 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -75.84 -29.27 19.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 119.593 -0.843 . . . . 50.0 109.462 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.68 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.049 -0.407 . . . . 25.0 111.882 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.22 70.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.57 -34.34 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 50.0 109.407 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -66.36 -45.84 78.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.818 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.5 -33.55 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.27 -0.572 . . . . 50.0 109.64 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.09 -29.59 68.57 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.313 -0.242 . . . . 25.0 110.399 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.22 -51.02 7.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.09 0.774 . . . . 50.0 113.09 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -103.81 -34.71 8.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.959 1.466 . . . . 25.0 114.959 -169.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -16.84 60.74 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 109.378 -0.601 . . . . 75.0 109.378 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -40.84 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.978 2.214 . . . . 50.0 116.978 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--N 1.315 -0.904 0 N-CA-C 112.805 0.669 . . . . 50.0 112.805 176.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.011 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -100.88 149.46 23.85 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.78 -24.28 67.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.098 0.475 . . . . 50.0 110.363 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -28.93 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.543 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.06 -30.2 31.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.321 0.489 . . . . 50.0 112.321 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.98 66.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.155 0.978 . . . . 25.0 108.887 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.1 -56.19 22.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.293 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -60.65 -26.77 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.694 0.627 . . . . 50.0 112.694 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.32 -34.11 76.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.194 0.521 . . . . 50.0 110.647 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -72.74 -38.0 67.55 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.296 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -38.05 88.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.51 -40.14 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -47.51 73.23 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 122.873 0.108 . . . . 50.0 111.09 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.89 -31.6 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.186 0.517 . . . . 50.0 111.795 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.85 -59.54 3.44 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.347 1.07 . . . . 50.0 110.218 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.31 -18.43 64.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.735 -1.575 . . . . 50.0 110.872 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.65 76.95 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -98.37 -12.42 21.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.757 -0.656 . . . . 50.0 112.463 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -64.99 155.78 33.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.704 1.742 . . . . 25.0 115.704 -171.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.35 40.39 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 114.564 -1.198 . . . . 25.0 112.283 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.95 -30.89 71.92 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.73 41.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.523 2.106 . . . . 50.0 115.379 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 -30.84 4.77 Favored Glycine 0 C--N 1.292 -1.894 0 CA-C-N 112.98 -1.918 . . . . 50.0 116.194 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.34 158.79 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.297 0.57 . . . . 25.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -71.33 -20.39 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -104.05 8.56 36.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.104 0.478 . . . . 50.0 111.671 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -128.15 147.25 50.55 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.07 0.938 . . . . 50.0 110.501 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mt -155.06 157.18 37.16 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 106.494 -1.669 . . . . 50.0 106.494 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.22 157.08 20.71 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.92 -0.712 . . . . 50.0 109.167 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -55.95 -41.71 75.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.331 . . . . 50.0 111.267 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -54.77 -38.64 67.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.919 1.081 . . . . 50.0 113.919 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -66.49 -40.3 89.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.354 0.597 . . . . 50.0 109.744 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.84 -38.22 85.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.519 . . . . 50.0 110.594 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.03 -33.66 76.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.194 -0.299 . . . . 50.0 110.194 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -77.15 -48.01 18.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.826 0.346 . . . . 25.0 110.438 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.13 -35.0 78.8 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.074 -0.651 . . . . 50.0 110.054 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.21 -44.77 96.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.543 -0.723 . . . . 50.0 110.846 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -76.97 -22.53 53.06 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.823 -0.751 . . . . 50.0 110.991 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -29.95 21.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.46 -36.73 13.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.178 -0.326 . . . . 50.0 110.773 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 -62.39 1.47 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.511 0.93 . . . . 50.0 113.511 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m 45.41 34.82 1.67 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.797 1.777 . . . . 50.0 115.797 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.77 -50.78 0.06 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-O 122.279 0.933 . . . . 50.0 113.074 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -13.01 61.37 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -26.01 68.38 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.504 -0.924 . . . . 50.0 108.504 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.29 -25.42 22.81 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.009 1.385 . . . . 25.0 109.434 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.28 -13.57 60.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.072 -1.422 . . . . 25.0 112.439 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.34 121.84 19.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -109.89 -20.37 12.78 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.238 -0.289 . . . . 50.0 111.704 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -81.5 94.71 6.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.182 0.515 . . . . 50.0 112.212 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.0 -36.28 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.752 -0.658 . . . . 50.0 111.494 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.08 -33.09 73.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 50.0 110.937 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -53.27 9.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.223 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.84 -35.42 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 C-N-CA 120.723 -0.391 . . . . 50.0 111.456 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.8 -44.77 96.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.485 -0.486 . . . . 50.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -72.67 -35.83 67.8 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 -175.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.57 -39.91 18.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.831 -0.622 . . . . 50.0 110.627 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmt -66.8 -36.45 82.42 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.042 -1.036 . . . . 50.0 110.86 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 7.4 pttt -77.55 -25.9 50.5 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.987 -0.685 . . . . 50.0 111.279 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.42 -48.47 72.68 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.393 -2.077 . . . . 50.0 105.393 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -29.43 70.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 50.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.99 -38.83 83.13 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.378 -0.826 . . . . 25.0 111.159 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.03 -26.82 23.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.111 0.481 . . . . 50.0 111.561 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -106.06 8.16 32.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.074 0.464 . . . . 50.0 112.246 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.43 -29.69 63.85 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.342 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.99 2.8 37.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.79 -176.72 38.27 Favored Glycine 0 N--CA 1.434 -1.5 0 N-CA-C 107.168 -2.373 . . . . 50.0 107.168 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -120.84 145.75 47.28 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 113.565 -1.317 . . . . 50.0 113.736 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.7 178.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.598 -1.183 . . . . 50.0 110.814 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -132.85 -174.09 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.574 0.349 . . . . 50.0 110.395 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -58.53 -40.85 84.1 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.872 0.693 . . . . 50.0 112.872 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -63.67 -38.87 92.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.05 -29.68 66.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.462 . . . . 50.0 110.911 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.38 -42.19 83.78 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.292 -0.88 . . . . 50.0 109.135 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -40.64 81.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.837 -0.619 . . . . 50.0 112.034 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.14 -26.48 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 120.879 -1.138 . . . . 50.0 110.291 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.02 -27.8 64.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 50.0 110.258 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -84.16 -29.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 118.654 -1.219 . . . . 50.0 108.748 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.65 -20.72 62.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.885 -0.509 . . . . 25.0 111.654 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.47 70.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.332 0.587 . . . . 25.0 109.63 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.14 -37.25 66.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.93 77.13 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.952 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.48 -33.89 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.102 -0.639 . . . . 50.0 109.747 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -23.42 65.48 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.599 -0.688 . . . . 25.0 110.365 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -92.48 -46.17 7.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.95 -34.09 9.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.9 -16.3 60.06 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.829 -0.544 . . . . 75.0 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -41.08 -17.29 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.824 2.157 . . . . 50.0 116.824 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.32 10.87 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.249 -0.907 . . . . 50.0 111.991 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -16.86 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.277 0.56 . . . . 50.0 110.12 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -132.28 175.71 9.04 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.217 -0.901 . . . . 25.0 109.389 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -61.18 123.37 17.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.906 0.86 . . . . 50.0 109.248 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 114.636 -1.165 . . . . 25.0 113.383 -172.778 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.367 0 N-CA-C 112.602 -0.199 . . . . 25.0 112.602 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -84.47 156.38 21.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.119 0.485 . . . . 25.0 110.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -74.17 -34.35 63.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 50.0 109.851 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -29.85 70.39 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.492 0.923 . . . . 50.0 113.492 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.99 -27.81 49.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.444 -0.785 . . . . 75.0 111.464 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -65.77 -22.26 66.57 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.76 -56.1 22.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.492 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.28 -26.0 67.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.48 -34.08 76.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 50.0 110.687 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -74.23 -38.52 63.5 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.146 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.74 -38.54 91.34 Favored 'General case' 0 C--O 1.205 -1.252 0 N-CA-C 108.437 -0.949 . . . . 50.0 108.437 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.59 -39.47 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.01 82.59 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.635 -0.257 . . . . 50.0 111.28 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.35 -28.47 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 112.966 0.728 . . . . 50.0 112.966 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.31 -61.61 1.77 Allowed 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 122.048 0.928 . . . . 50.0 109.801 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -14.72 63.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.852 -1.522 . . . . 50.0 111.907 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.26 80.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.319 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -112.9 5.76 17.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.744 0.646 . . . . 50.0 112.744 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -66.73 155.41 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.02 50.89 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.195 -0.911 . . . . 25.0 112.847 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -67.05 -19.44 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.742 0.306 . . . . 50.0 111.504 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.61 -27.27 29.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 50.0 110.825 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.76 -30.9 4.08 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 110.198 -1.161 . . . . 50.0 110.198 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -117.56 150.95 38.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -93.08 -16.09 25.36 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.34 7.03 17.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.379 1.085 . . . . 50.0 110.675 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -140.44 166.1 25.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.192 -1.822 . . . . 50.0 107.768 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mt -159.76 150.41 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.573 -0.899 . . . . 50.0 108.573 170.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -72.25 150.55 43.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.336 -0.616 . . . . 50.0 109.336 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -56.64 -42.24 78.52 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.597 0.221 . . . . 50.0 111.597 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -58.63 -37.0 74.96 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.017 0.747 . . . . 50.0 113.017 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.31 -37.53 87.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.827 0.822 . . . . 50.0 110.255 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.12 -36.87 84.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.599 -0.728 . . . . 50.0 110.101 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -64.73 -32.58 74.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.296 -0.261 . . . . 50.0 110.296 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -79.01 -46.02 19.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.95 -30.58 67.99 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.486 -0.759 . . . . 50.0 111.416 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.75 -0.594 . . . . 50.0 110.459 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.11 -22.45 39.12 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.356 -174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.0 -33.93 61.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.65 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -97.67 -45.17 6.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 114.573 1.323 . . . . 50.0 114.573 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -63.53 1.35 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.584 -0.735 . . . . 50.0 111.603 -172.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p 42.92 34.96 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.414 1.264 . . . . 50.0 114.414 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.44 -48.99 0.07 OUTLIER Glycine 0 C--O 1.221 -0.707 0 CA-C-O 121.398 0.443 . . . . 50.0 112.777 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -13.71 61.55 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.599 0.963 . . . . 50.0 113.599 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -22.04 66.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.311 -0.859 . . . . 50.0 109.4 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -99.81 -5.54 28.4 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.884 1.326 . . . . 25.0 109.106 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.25 -5.81 39.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.604 -1.18 . . . . 25.0 111.059 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -72.79 125.18 26.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.767 -0.827 . . . . 75.0 108.767 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -112.57 -24.88 9.43 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.395 -0.19 . . . . 50.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.56 90.07 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.684 -0.858 . . . . 50.0 108.684 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.78 -33.68 65.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.976 -0.556 . . . . 50.0 111.557 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.44 -39.01 85.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.447 -0.783 . . . . 50.0 110.648 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -56.11 20.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.51 -30.36 48.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 113.153 0.797 . . . . 50.0 113.153 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.03 -43.31 92.82 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.496 0.665 . . . . 50.0 109.646 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -73.39 -28.43 62.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.262 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -79.76 -40.33 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 122.504 0.322 . . . . 50.0 110.69 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.0 mtp -63.2 -44.55 95.03 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 121.314 -0.866 . . . . 50.0 109.922 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -68.96 -30.1 68.47 Favored 'General case' 0 C--O 1.205 -1.263 0 C-N-CA 120.211 -0.596 . . . . 50.0 110.849 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.95 -48.09 75.3 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.413 -1.699 . . . . 50.0 106.413 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -31.38 72.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 50.0 111.343 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.26 -33.22 71.34 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.766 -0.584 . . . . 25.0 112.089 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.25 -33.36 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.89 0.852 . . . . 50.0 111.26 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -104.88 6.3 33.64 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.845 -1.071 . . . . 50.0 113.808 -170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -32.54 65.94 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 114.564 0.585 . . . . 25.0 114.564 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -82.07 1.33 36.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.945 0.35 . . . . 25.0 111.945 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.4 -163.79 39.63 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 109.026 -1.63 . . . . 50.0 109.026 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -129.91 146.88 51.62 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.458 -0.871 . . . . 50.0 112.937 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -147.32 177.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.701 -0.681 . . . . 50.0 109.3 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -130.69 -174.17 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -57.02 -39.71 75.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -64.54 -42.11 95.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.061 -0.348 . . . . 50.0 110.061 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.41 -33.24 72.7 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.868 -0.733 . . . . 50.0 110.493 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.11 -42.49 93.92 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.66 -0.65 . . . . 50.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -28.22 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 O-C-N 121.815 -0.553 . . . . 50.0 111.397 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.41 -37.06 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.453 -0.943 . . . . 50.0 108.453 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.98 -35.29 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.6 -0.273 . . . . 50.0 111.229 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.43 -32.06 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 119.387 -0.925 . . . . 50.0 109.173 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.09 -20.65 63.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.954 -0.466 . . . . 25.0 111.694 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.32 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.32 -33.85 61.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -44.49 79.74 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.04 -33.53 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.395 -0.922 . . . . 50.0 109.84 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.53 64.64 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.891 -0.505 . . . . 25.0 110.846 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.29 -47.17 8.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.855 1.058 . . . . 50.0 113.855 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -103.35 -47.72 4.21 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -19.75 62.0 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 122.641 0.376 . . . . 75.0 110.879 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -41.03 -24.86 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 117.042 2.238 . . . . 50.0 117.042 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.13 10.93 1.67 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -15.7 58.25 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.26 0.552 . . . . 50.0 110.732 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -126.79 165.62 18.96 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.805 -1.924 . . . . 25.0 105.805 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.71 126.59 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.424 0.63 . . . . 50.0 109.995 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.245 0.864 0 N-CA-C 107.061 -1.459 . . . . 25.0 107.061 -179.648 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 111.464 -0.655 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 p -71.84 166.33 22.28 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.44 -38.38 65.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.47 -28.97 70.33 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.603 1.335 . . . . 50.0 114.603 -174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.91 -25.97 56.52 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.836 -0.54 . . . . 50.0 111.307 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -75.3 -22.45 57.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -55.94 24.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -59.15 -25.78 64.19 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.386 0.884 . . . . 50.0 113.386 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -33.46 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.397 0.618 . . . . 50.0 110.762 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.7 p -74.91 -38.4 61.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.136 0.493 . . . . 25.0 111.02 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -37.15 85.99 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.95 -41.81 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -46.38 74.27 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.121 0.263 . . . . 50.0 111.217 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.37 -31.93 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -68.02 -57.37 6.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.19 0.995 . . . . 50.0 110.75 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -71.28 -14.73 62.32 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.236 -1.347 . . . . 50.0 111.415 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.57 81.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -99.06 -14.55 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.916 1.08 . . . . 50.0 113.916 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.5 m -62.3 162.97 9.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.66 -10.53 53.1 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 121.086 -0.578 . . . . 25.0 112.234 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -64.32 -34.14 77.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.272 0.558 . . . . 50.0 111.054 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -73.27 -25.72 60.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.631 -1.168 . . . . 50.0 112.393 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.59 -28.05 4.81 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.678 -0.969 . . . . 50.0 110.678 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -119.58 157.18 28.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -8.44 49.66 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 115.405 1.631 . . . . 25.0 115.405 -173.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -91.46 -9.5 44.32 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.388 1.089 . . . . 50.0 108.53 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -112.65 152.88 28.45 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.387 -1.733 . . . . 50.0 110.1 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD11 ' H ' ' A' ' 29' ' ' SER . 6.4 tp -147.61 169.28 19.96 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.098 -2.186 . . . . 50.0 105.098 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 76.2 p -95.36 157.33 15.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 118.723 0.692 . . . . 50.0 109.563 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.75 -46.4 90.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.249 -0.282 . . . . 50.0 111.322 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -54.89 -39.95 69.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.185 1.18 . . . . 50.0 114.185 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -62.3 -36.95 83.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 50.0 111.126 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.32 -37.13 86.06 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.527 -0.469 . . . . 50.0 110.695 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -67.23 -29.9 69.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 50.0 110.123 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.84 -45.7 16.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.672 -0.24 . . . . 25.0 111.372 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -29.63 67.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.76 -0.587 . . . . 50.0 110.735 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.76 -43.47 96.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.834 -0.541 . . . . 50.0 109.967 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -79.66 -22.37 43.6 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.01 -0.676 . . . . 50.0 111.234 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -27.15 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 25.0 111.802 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.66 -45.09 4.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 114.199 1.185 . . . . 50.0 114.199 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -64.8 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.672 -0.411 . . . . 50.0 111.466 -173.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p 40.25 36.19 0.31 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.11 1.522 . . . . 50.0 115.11 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.34 -50.21 0.07 OUTLIER Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.979 0.766 . . . . 50.0 112.853 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -16.29 62.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 113.566 0.95 . . . . 50.0 113.566 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -25.28 68.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.318 -0.855 . . . . 50.0 109.177 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.99 -23.91 22.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.958 1.361 . . . . 25.0 108.655 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.07 -13.64 59.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.1 -1.409 . . . . 25.0 112.686 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.68 135.09 54.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.676 -0.238 . . . . 50.0 110.675 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -122.02 -27.17 4.63 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.16 91.81 3.75 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -33.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.059 -0.518 . . . . 50.0 111.767 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.37 -39.05 78.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.61 -0.836 . . . . 50.0 110.472 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.79 61.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.666 0.746 . . . . 25.0 109.333 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.65 -34.4 67.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.594 -0.73 . . . . 50.0 111.621 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.01 -45.07 87.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.205 0.526 . . . . 50.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -72.78 -31.23 64.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.587 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -78.8 -42.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.02 0.128 . . . . 50.0 111.326 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.9 mmt -65.51 -39.19 91.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.47 -0.769 . . . . 50.0 111.909 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.72 -31.16 70.9 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 120.497 -0.481 . . . . 50.0 109.829 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.35 -40.98 42.08 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -32.4 73.35 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.343 -0.844 . . . . 50.0 109.963 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -40.29 88.36 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.754 -0.591 . . . . 25.0 112.437 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -32.59 36.93 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.037 0.922 . . . . 50.0 110.286 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 9.77 42.49 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.652 -1.158 . . . . 50.0 112.51 -173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.07 65.98 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 114.421 0.528 . . . . 25.0 114.421 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -82.12 6.24 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.928 0.364 . . . . 25.0 111.283 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.18 -164.67 40.03 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.724 -2.15 . . . . 50.0 107.724 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 3.7 pt-20 -131.64 162.65 29.89 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.129 -0.535 . . . . 50.0 111.686 -170.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -143.96 173.85 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.37 -1.286 . . . . 50.0 110.644 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -131.52 -174.1 3.31 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.235 -1.765 . . . . 50.0 106.235 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.0 -40.58 81.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.07 -38.21 87.73 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.176 -0.327 . . . . 50.0 110.737 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.17 -36.82 84.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.481 -0.762 . . . . 50.0 110.128 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -69.26 -41.06 77.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.353 -0.539 . . . . 50.0 110.158 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.34 -33.65 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.831 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.56 -40.16 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.64 -34.75 78.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 50.0 112.327 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -75.03 -33.69 29.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.324 -0.95 . . . . 50.0 108.592 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.48 62.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.962 -0.461 . . . . 25.0 112.01 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.39 69.94 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.12 -37.3 61.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.295 -0.631 . . . . 50.0 109.295 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -46.21 76.6 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.798 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.43 -34.21 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.131 -0.628 . . . . 50.0 110.051 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.9 -27.91 61.28 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 121.041 -0.264 . . . . 25.0 110.359 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.7 -52.06 6.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.377 0.88 . . . . 50.0 113.377 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -106.03 -36.39 6.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.791 1.404 . . . . 25.0 114.791 -167.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -81.89 -16.62 50.03 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.906 -0.496 . . . . 75.0 110.254 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 79.8 t80 -41.07 -20.43 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 118.194 2.665 . . . . 50.0 118.194 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -85.56 10.97 11.64 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 123.246 0.618 . . . . 50.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.456 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.73 -21.36 10.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.982 1.104 . . . . 50.0 113.982 176.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.95 132.74 47.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.62 93.85 4.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.502 1.144 . . . . 50.0 110.726 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.311 -1.068 0 CA-C-N 113.806 -1.543 . . . . 25.0 112.621 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.56 0 N-CA-C 111.029 -0.828 . . . . 25.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -73.47 151.53 41.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.334 0.588 . . . . 25.0 110.553 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.93 -39.91 94.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.836 -0.54 . . . . 50.0 110.306 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -29.34 69.79 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.628 0.973 . . . . 50.0 113.628 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.18 -25.3 34.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.864 -0.735 . . . . 75.0 111.147 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -70.53 -21.93 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.26 -54.72 36.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.905 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -60.6 -24.9 65.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.92 0.711 . . . . 50.0 112.92 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.9 76.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.239 0.542 . . . . 50.0 110.198 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -73.63 -38.35 65.05 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.927 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -36.73 83.27 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.55 -42.47 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 50.0 109.193 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -46.12 70.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 123.279 0.362 . . . . 50.0 111.381 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 -32.01 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.754 0.65 . . . . 50.0 112.754 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -66.71 -56.77 9.06 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.419 1.104 . . . . 50.0 110.247 -175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.84 -15.65 61.16 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.908 -1.496 . . . . 50.0 112.229 -177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -36.31 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -101.8 -9.3 20.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.781 1.03 . . . . 50.0 113.781 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.8 m -61.91 156.91 19.67 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.789 0.662 . . . . 25.0 112.789 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.79 -11.14 49.46 Favored Glycine 0 C--O 1.223 -0.583 0 CA-C-N 115.712 -0.676 . . . . 25.0 113.277 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.76 -34.04 75.13 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.661 0.743 . . . . 50.0 110.754 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.58 -26.74 58.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.327 -1.306 . . . . 50.0 111.932 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.68 -30.66 4.15 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.453 -1.059 . . . . 50.0 110.453 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -113.52 154.06 27.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.64 0.733 . . . . 25.0 110.978 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -16.21 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -172.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -102.34 7.2 40.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.83 0.824 . . . . 50.0 109.719 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -131.15 157.73 42.39 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.021 -1.445 . . . . 50.0 108.789 -174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -156.65 144.71 19.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.043 -1.095 . . . . 50.0 108.043 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.62 151.9 43.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.944 0.402 . . . . 50.0 110.837 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -55.03 -46.36 75.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.983 -0.553 . . . . 50.0 111.117 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -57.99 -36.65 72.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.345 1.239 . . . . 50.0 114.345 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.44 -38.95 85.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.541 0.686 . . . . 50.0 109.861 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.4 -37.75 87.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 50.0 110.691 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.41 -35.3 79.96 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -74.78 -49.65 20.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.57 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.68 -30.39 70.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.675 -0.641 . . . . 50.0 110.974 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.11 -42.48 96.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.042 -0.411 . . . . 50.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.94 -22.47 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.755 -0.778 . . . . 50.0 109.981 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -36.08 60.5 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.658 0.599 . . . . 25.0 111.3 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -93.21 -45.29 7.93 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -60.47 2.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.847 -0.615 . . . . 50.0 111.432 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m 44.9 35.04 1.36 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.41 1.263 . . . . 50.0 114.41 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.49 -44.39 0.07 OUTLIER Glycine 0 C--O 1.224 -0.507 0 CA-C-O 121.689 0.605 . . . . 50.0 112.75 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -9.1 58.37 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.589 -0.948 . . . . 50.0 112.989 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -22.48 66.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 50.0 109.006 173.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -100.97 -36.97 8.83 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 122.888 1.328 . . . . 25.0 109.462 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.04 -16.57 63.17 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 114.632 -1.167 . . . . 25.0 111.174 -171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.85 135.71 52.96 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 125.879 1.671 . . . . 75.0 108.871 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -120.42 -26.42 5.4 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -77.39 91.71 3.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -33.62 61.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.68 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.97 -40.72 78.69 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.716 -0.794 . . . . 50.0 110.547 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.68 49.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.565 0.698 . . . . 25.0 109.585 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.21 -33.98 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.74 -0.664 . . . . 50.0 111.564 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.78 -49.9 74.49 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.33 -32.42 66.51 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.92 -40.43 26.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.395 -0.366 . . . . 50.0 110.516 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.2 mmt -68.38 -34.59 76.33 Favored 'General case' 0 CA--C 1.509 -0.601 0 O-C-N 121.018 -1.051 . . . . 50.0 111.75 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -77.05 -27.23 54.31 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 120.335 -0.546 . . . . 50.0 110.548 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.87 -47.36 78.17 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 105.091 -2.189 . . . . 50.0 105.091 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -29.21 70.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.864 -1.062 . . . . 50.0 112.257 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -39.66 78.34 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.561 -0.712 . . . . 25.0 110.957 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -85.81 -27.6 25.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.349 0.595 . . . . 50.0 111.261 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.05 7.65 34.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.761 -0.654 . . . . 50.0 112.591 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.3 -32.63 60.63 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 115.019 0.767 . . . . 25.0 115.019 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -79.58 -1.49 38.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.032 0.416 . . . . 25.0 111.665 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.72 37.06 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 109.744 -1.342 . . . . 50.0 109.744 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.35 147.69 52.4 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 113.618 0.97 . . . . 50.0 113.618 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -148.76 175.25 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.608 -0.724 . . . . 50.0 109.629 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.47 -174.16 3.15 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.136 -0.353 . . . . 50.0 110.24 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.76 -40.03 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.806 0.669 . . . . 50.0 112.806 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -67.77 -40.62 83.99 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.004 -0.435 . . . . 50.0 109.995 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.41 -32.77 73.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.582 -0.698 . . . . 50.0 110.134 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.63 -41.42 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.513 -0.742 . . . . 50.0 110.381 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -65.95 -26.89 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.774 -0.579 . . . . 50.0 111.061 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.15 -40.7 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.176 -1.046 . . . . 50.0 108.176 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.299 -0.41 . . . . 50.0 111.798 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.39 -33.33 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 119.589 -0.844 . . . . 50.0 109.499 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.7 60.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.35 70.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.685 -0.858 . . . . 25.0 108.685 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.64 -35.35 58.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.553 -0.536 . . . . 50.0 109.553 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 -46.79 75.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.738 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.63 -33.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.082 -0.647 . . . . 50.0 109.702 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.21 67.83 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 122.055 -0.403 . . . . 25.0 110.256 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.5 t -85.06 -51.65 6.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -100.96 -34.5 9.75 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -168.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -17.53 55.59 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 121.917 -0.489 . . . . 75.0 110.045 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -40.77 -24.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.663 2.468 . . . . 50.0 117.663 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -78.44 10.93 2.73 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.661 0.784 . . . . 50.0 112.342 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -18.25 57.64 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.358 0.663 . . . . 50.0 110.983 172.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.72 159.6 15.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -71.38 122.73 20.87 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.185 -0.606 . . . . 50.0 110.647 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.221 -0.9 . . . . 25.0 108.787 178.075 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.867 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -105.77 168.68 8.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.238 1.015 . . . . 25.0 111.379 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -30.86 50.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 171.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -28.06 69.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.8 1.037 . . . . 50.0 113.8 -174.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.99 -27.48 49.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.73 -0.606 . . . . 50.0 111.028 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -70.23 -21.48 63.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.183 0.992 . . . . 25.0 109.291 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.36 30.61 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.441 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -60.42 -26.71 66.91 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.657 0.614 . . . . 50.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.59 -32.69 74.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.294 0.569 . . . . 50.0 110.684 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.9 p -74.91 -38.47 61.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.137 0.494 . . . . 25.0 111.04 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.78 -38.08 88.05 Favored 'General case' 0 C--O 1.207 -1.135 0 N-CA-C 107.8 -1.185 . . . . 50.0 107.8 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -60.56 -41.16 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -46.28 75.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.826 0.079 . . . . 50.0 111.164 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG23 ' HH ' ' A' ' 74' ' ' TYR . 28.2 m -84.58 -30.42 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 112.415 0.524 . . . . 50.0 112.415 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.73 -58.06 5.85 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.616 1.198 . . . . 50.0 110.724 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -70.62 -17.56 62.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 50.0 111.545 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.96 79.69 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.364 -0.534 . . . . 25.0 109.655 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -106.36 -3.9 20.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 55.5 m -62.15 156.5 21.55 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.349 1.611 . . . . 25.0 115.349 -172.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.62 50.27 Favored Glycine 0 C--O 1.223 -0.581 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.651 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -70.42 -32.2 69.72 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 122.37 -0.488 . . . . 50.0 111.148 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -26.4 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.8 -30.86 4.08 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-O 118.825 -0.986 . . . . 50.0 115.168 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -96.05 153.91 17.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 119.236 1.518 . . . . 25.0 111.35 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.65 -21.0 61.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.459 -1.246 . . . . 25.0 113.849 -173.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.59 13.96 23.66 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 122.88 0.472 . . . . 50.0 112.072 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -131.55 153.49 49.8 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 121.669 0.747 . . . . 50.0 109.476 -172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mt -152.44 161.39 42.67 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.486 -1.301 . . . . 50.0 107.486 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 p -85.08 154.01 22.33 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.28 -42.47 86.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.484 0.183 . . . . 50.0 110.955 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -58.87 -35.48 73.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.209 0.818 . . . . 50.0 113.209 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.11 -41.53 81.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.121 0.486 . . . . 50.0 109.799 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.624 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.13 -39.93 73.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.291 -0.413 . . . . 50.0 110.433 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -47.04 16.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -174.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.85 -30.81 71.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.311 -0.556 . . . . 50.0 110.317 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.47 -48.61 76.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 121.961 -0.462 . . . . 50.0 109.906 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.01 -25.0 47.7 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.588 -0.845 . . . . 50.0 111.528 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.74 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.191 -0.204 . . . . 25.0 110.77 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.45 -45.29 6.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 50.0 111.71 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -64.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.415 0.894 . . . . 50.0 113.415 -172.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m 45.57 33.83 1.5 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.577 1.325 . . . . 50.0 114.577 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.25 -50.96 0.06 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-O 122.008 0.782 . . . . 50.0 113.046 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -11.49 60.27 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -23.69 66.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 50.0 109.068 175.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.67 -30.52 16.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.647 1.213 . . . . 25.0 108.579 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.8 -7.99 44.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.144 -1.389 . . . . 25.0 113.646 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -72.09 120.92 18.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.165 -0.309 . . . . 50.0 110.165 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -113.21 -23.29 10.03 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.345 -0.222 . . . . 50.0 111.075 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -81.67 89.64 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.139 -1.06 . . . . 50.0 108.139 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.74 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.116 -0.493 . . . . 50.0 111.021 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.94 -33.02 73.87 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.764 -0.774 . . . . 50.0 111.248 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 -56.79 10.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.62 0.724 . . . . 25.0 109.416 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.8 -30.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 113.005 0.742 . . . . 50.0 113.005 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.099 0.476 . . . . 50.0 110.068 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -83.36 -32.15 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.432 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.72 -40.47 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.561 -0.29 . . . . 50.0 111.322 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.19 -36.18 79.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.129 -0.982 . . . . 50.0 110.323 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -27.21 63.11 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 119.798 -0.761 . . . . 50.0 110.697 176.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.79 -47.7 61.91 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 105.86 -1.904 . . . . 50.0 105.86 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.45 72.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.883 -1.053 . . . . 50.0 111.494 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.8 -38.11 82.89 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.92 -0.487 . . . . 25.0 111.99 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -82.08 -32.71 30.18 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.028 0.918 . . . . 50.0 111.041 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -103.8 8.49 37.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.536 -1.211 . . . . 50.0 113.47 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.2 63.0 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 113.995 0.358 . . . . 25.0 113.995 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.34 0.25 42.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.43 -164.74 40.5 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.848 -1.701 . . . . 50.0 108.848 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.67 149.09 51.57 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -172.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -148.36 175.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.732 -1.122 . . . . 50.0 110.533 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.63 -174.06 3.19 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.553 0.341 . . . . 50.0 110.428 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.89 -38.6 76.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.931 0.715 . . . . 50.0 112.931 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -67.06 -39.13 86.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.83 -0.543 . . . . 50.0 110.022 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.72 -31.59 70.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.519 -0.473 . . . . 50.0 110.033 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' HH ' HG23 ' A' ' 14' ' ' VAL . 17.6 t80 -68.46 -44.94 73.77 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.275 -0.891 . . . . 50.0 110.524 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.38 56.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 122.004 -0.435 . . . . 50.0 111.788 -176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -79.92 -28.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.494 -0.754 . . . . 50.0 110.01 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -29.32 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.965 -0.383 . . . . 50.0 109.965 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -84.76 -33.93 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 118.997 -1.081 . . . . 50.0 109.791 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.37 -20.7 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.757 -0.589 . . . . 25.0 111.64 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.98 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.409 0.624 . . . . 25.0 109.798 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.82 -34.61 60.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 50.0 109.443 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -44.28 79.77 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.713 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.36 -32.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 119.527 -0.869 . . . . 50.0 110.563 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.26 -24.34 62.16 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -87.06 -51.56 5.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.835 0.68 . . . . 50.0 112.835 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -103.51 -43.41 5.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.198 1.184 . . . . 25.0 114.198 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -20.73 64.74 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.847 -0.427 . . . . 75.0 109.847 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -40.96 -25.48 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 117.396 2.369 . . . . 50.0 117.396 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -79.12 11.1 2.97 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.232 0.613 . . . . 50.0 112.393 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -22.93 37.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.661 0.784 . . . . 50.0 112.305 174.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -77.08 156.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.218 0.533 . . . . 25.0 109.658 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.76 122.48 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.43 -1.259 . . . . 25.0 113.819 -172.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.313 0 N-CA-C 110.822 -0.911 . . . . 25.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -105.74 148.0 27.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.89 -34.48 76.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.812 0.815 . . . . 50.0 109.502 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.88 -30.01 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.21 -24.34 37.5 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.996 -0.682 . . . . 75.0 111.639 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -22.28 65.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.41 10.43 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.413 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ptp -60.12 -25.93 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.26 -32.98 74.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.535 0.683 . . . . 50.0 110.778 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -74.44 -38.22 63.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.435 -0.506 . . . . 25.0 111.122 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.31 86.45 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 108.361 -0.977 . . . . 50.0 108.361 175.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.44 -40.97 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.393 -0.595 . . . . 50.0 109.393 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -44.84 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.818 0.303 . . . . 50.0 111.818 -177.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.19 -29.38 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.16 -59.66 3.26 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 122.767 1.27 . . . . 50.0 111.192 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -68.89 -15.8 63.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.472 -1.695 . . . . 50.0 111.056 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.14 71.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.787 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -107.15 -3.58 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.079 1.511 . . . . 50.0 115.079 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.447 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 84.6 p -62.11 149.93 39.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -171.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.06 11.27 32.48 Favored Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.07 -0.968 . . . . 25.0 115.342 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.48 -23.64 60.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.225 1.012 . . . . 50.0 108.916 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -104.84 -16.21 14.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.499 -1.682 . . . . 50.0 112.579 -173.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 -7.19 9.17 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 117.922 1.929 . . . . 50.0 117.922 172.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.21 169.8 11.38 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.126 0.963 . . . . 25.0 113.123 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -23.26 27.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -116.75 14.66 15.33 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.508 0.929 . . . . 50.0 113.508 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -124.92 165.49 18.0 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.312 -2.107 . . . . 50.0 105.312 -175.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 1.8 mt -154.87 152.46 29.8 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.336 -0.987 . . . . 50.0 108.336 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 83.9 p -78.78 148.19 33.05 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -59.15 -39.08 81.3 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.225 -0.297 . . . . 50.0 111.391 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.85 -39.56 85.59 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.172 0.434 . . . . 50.0 112.172 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.49 -40.28 85.21 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.261 0.553 . . . . 50.0 110.195 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.37 -38.18 90.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 50.0 109.883 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -33.71 76.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.411 -0.359 . . . . 50.0 110.528 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -45.89 18.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.34 -29.34 68.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.751 -0.593 . . . . 50.0 110.094 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.89 -44.75 95.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.94 -0.392 . . . . 50.0 109.94 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.53 -23.32 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.716 -0.793 . . . . 50.0 111.002 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -31.9 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.706 0.289 . . . . 25.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -98.14 -44.93 6.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.652 0.982 . . . . 50.0 113.652 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.87 -65.41 1.01 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.171 -175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m 47.22 32.43 2.09 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.24 -53.75 0.08 OUTLIER Glycine 0 C--O 1.221 -0.685 0 C-N-CA 121.402 -0.427 . . . . 50.0 113.716 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.63 -22.31 63.48 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 113.509 0.929 . . . . 50.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -23.03 67.24 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.965 -1.016 . . . . 50.0 110.8 177.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.78 7.86 24.36 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.502 1.144 . . . . 25.0 109.303 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.01 12.41 19.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.703 -1.135 . . . . 25.0 110.479 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.21 128.74 33.88 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.077 -0.342 . . . . 75.0 110.077 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -109.79 -28.89 8.56 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.188 -0.32 . . . . 50.0 111.58 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -81.17 92.17 6.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.55 -34.14 67.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 CA-C-N 115.707 -0.679 . . . . 50.0 111.966 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.72 -38.98 80.61 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.417 -0.913 . . . . 50.0 110.686 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.06 46.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.771 . . . . 25.0 109.047 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.91 -32.44 54.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 115.723 -0.672 . . . . 50.0 112.35 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.14 -44.33 92.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.226 0.536 . . . . 50.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -72.71 -29.59 63.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.583 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -83.03 -39.89 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.9 mmt -67.57 -39.33 84.9 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.994 -1.066 . . . . 50.0 110.918 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -68.02 -28.66 67.6 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.708 -0.797 . . . . 50.0 109.728 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.3 -45.14 57.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.309 -1.367 . . . . 50.0 107.309 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -29.75 70.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.6 -0.727 . . . . 50.0 110.976 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.6 -38.4 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.08 0.467 . . . . 25.0 111.826 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.93 -35.29 38.01 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 122.155 0.978 . . . . 50.0 110.458 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -104.2 3.59 33.02 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 114.778 1.399 . . . . 50.0 114.778 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.23 -31.97 66.79 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.778 -0.249 . . . . 25.0 113.709 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -82.06 -2.28 51.32 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.86 -161.63 37.56 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 109.033 -1.627 . . . . 50.0 109.033 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.12 147.92 49.64 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 113.057 0.762 . . . . 50.0 113.057 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.02 -178.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.565 -1.198 . . . . 50.0 107.781 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -126.56 -174.21 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.162 0.437 . . . . 50.0 111.242 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.88 -41.35 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.113 0.412 . . . . 50.0 112.113 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -61.16 -41.93 97.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -32.28 72.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 50.0 111.197 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.592 0.71 . . . . 50.0 109.549 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.01 -37.28 76.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.038 -0.528 . . . . 50.0 111.383 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.03 -36.86 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.741 -0.837 . . . . 50.0 108.741 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.19 -37.27 86.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.546 -0.297 . . . . 50.0 111.68 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.66 -29.27 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 119.584 -0.847 . . . . 50.0 109.0 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -20.58 60.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.01 70.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.45 -35.65 60.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.693 -0.685 . . . . 50.0 109.435 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -67.08 -46.33 74.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.67 -35.98 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.098 -0.641 . . . . 50.0 109.629 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.8 61.13 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.485 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.71 -45.13 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.067 1.136 . . . . 50.0 114.067 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -109.31 -34.78 6.45 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.51 -16.03 50.21 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 122.216 -0.302 . . . . 75.0 111.581 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -40.76 -19.27 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 119.559 3.17 . . . . 50.0 119.559 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -88.26 10.57 19.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.545 -0.722 . . . . 50.0 110.933 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -8.08 0.5 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.436 1.273 . . . . 50.0 114.436 175.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.35 164.43 18.55 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -62.69 130.27 44.24 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.475 -0.89 . . . . 50.0 109.402 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.238 -176.484 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.315 -0.714 . . . . 25.0 111.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -73.76 159.33 33.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.47 -31.86 69.17 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.534 -0.866 . . . . 50.0 110.272 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -27.85 69.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.769 -0.65 . . . . 50.0 112.624 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.28 -28.85 42.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 117.897 0.317 . . . . 50.0 111.583 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -22.42 62.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 122.287 1.042 . . . . 25.0 108.552 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.26 -57.91 9.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.422 ' H ' ' HG2' ' A' ' 8' ' ' MET . 10.1 ptp -57.53 -26.07 60.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.015 1.117 . . . . 50.0 114.015 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.73 -32.28 73.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.636 0.731 . . . . 50.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.0 p -76.37 -37.54 57.07 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.986 -0.446 . . . . 25.0 111.051 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.35 80.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 175.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.39 -40.5 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -45.7 74.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.555 0.206 . . . . 50.0 111.555 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.32 -30.37 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.96 -55.5 14.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.168 0.985 . . . . 50.0 110.914 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -73.08 -14.39 61.39 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.146 -1.388 . . . . 50.0 111.557 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.61 75.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.2 -0.666 . . . . 25.0 109.2 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -109.99 -3.18 16.66 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.223 1.194 . . . . 50.0 114.223 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -68.71 161.25 28.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.383 -0.823 . . . . 25.0 110.702 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.1 -15.46 60.45 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.791 -0.719 . . . . 25.0 111.69 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -65.97 -27.94 68.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.656 -0.32 . . . . 50.0 110.217 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -74.32 -29.73 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.59 0.709 . . . . 50.0 110.687 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.55 -30.63 4.19 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.349 -1.1 . . . . 50.0 110.349 -175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.92 156.03 23.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.377 0.608 . . . . 25.0 110.376 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -16.44 52.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -109.76 5.86 23.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.563 0.697 . . . . 50.0 110.403 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.66 152.74 40.2 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.854 -1.066 . . . . 50.0 108.131 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 tp -156.17 148.72 23.74 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.244 -1.761 . . . . 50.0 106.244 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -74.33 152.85 39.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.862 0.363 . . . . 50.0 110.529 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -57.11 -44.11 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 50.0 110.474 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -59.36 -39.58 83.7 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.214 0.82 . . . . 50.0 113.214 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.84 -39.0 92.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.208 0.528 . . . . 50.0 109.873 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.28 -38.39 90.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.461 . . . . 50.0 110.432 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -65.92 -35.86 81.78 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.245 -0.28 . . . . 50.0 110.245 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.9 -42.91 47.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.08 -31.31 65.97 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.666 -0.646 . . . . 50.0 111.045 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.22 -44.21 97.07 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.779 -0.575 . . . . 50.0 110.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.28 -22.57 48.06 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.992 -0.683 . . . . 50.0 111.164 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -29.19 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -95.82 -45.4 6.99 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.465 . . . . 50.0 111.743 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m 45.64 33.33 1.4 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.69 1.367 . . . . 50.0 114.69 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.84 -44.65 0.08 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-O 121.584 0.547 . . . . 50.0 112.952 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -10.73 59.73 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.414 -1.05 . . . . 50.0 113.412 -177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -22.73 66.37 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.726 -1.124 . . . . 50.0 109.141 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.79 -30.92 10.57 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 124.25 1.976 . . . . 25.0 110.775 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.67 -14.4 62.79 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 124.467 2.079 . . . . 25.0 116.312 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.49 146.82 51.61 Favored 'General case' 0 CA--C 1.482 -1.659 0 O-C-N 120.5 -1.375 . . . . 50.0 109.963 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.32 -32.29 2.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 113.416 -1.72 . . . . 50.0 114.286 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.44 93.83 3.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 50.0 110.414 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.52 -34.0 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.57 -0.741 . . . . 50.0 111.529 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.85 -39.37 79.94 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.581 -0.848 . . . . 50.0 110.616 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.19 58.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.513 0.673 . . . . 25.0 109.524 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.51 -33.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.908 -0.587 . . . . 50.0 111.64 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.91 -48.06 75.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.016 0.436 . . . . 50.0 110.277 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -69.16 -30.02 68.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 25.0 111.075 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.46 -44.17 21.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.739 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.194 -0.941 . . . . 50.0 110.868 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.72 -23.01 61.55 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.028 -0.669 . . . . 50.0 110.86 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -47.69 33.98 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 105.179 -2.156 . . . . 50.0 105.179 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -26.95 68.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.858 -1.064 . . . . 50.0 112.111 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -36.98 72.58 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.991 -0.684 . . . . 25.0 111.363 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.17 -28.77 22.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.526 0.679 . . . . 50.0 111.88 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -107.09 8.33 30.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.227 -0.897 . . . . 50.0 112.876 -172.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.99 -31.97 65.86 Favored Glycine 0 C--N 1.318 -0.428 0 N-CA-C 114.279 0.471 . . . . 25.0 114.279 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -87.46 9.74 19.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.86 -176.8 36.67 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 106.916 -2.473 . . . . 50.0 106.916 171.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -119.87 144.62 47.29 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.337 -1.432 . . . . 50.0 112.772 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.26 179.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.156 -0.929 . . . . 50.0 109.5 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.19 -174.11 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.183 -0.303 . . . . 50.0 110.183 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.09 -41.65 79.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.459 0.54 . . . . 50.0 112.459 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.06 -41.38 98.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.721 -0.474 . . . . 50.0 109.721 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.63 -31.75 71.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 50.0 111.273 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.93 -41.16 87.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.535 0.683 . . . . 50.0 109.318 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.53 -38.6 76.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.531 -0.759 . . . . 50.0 111.603 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.47 -37.82 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.56 -37.54 87.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.922 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.54 -31.23 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 119.508 -0.877 . . . . 50.0 109.261 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.18 -21.0 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.8 70.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -76.92 -35.24 57.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.881 -0.599 . . . . 50.0 109.695 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -65.8 -47.73 74.11 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.389 -0.369 . . . . 25.0 111.782 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.42 -33.81 64.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.245 -0.582 . . . . 50.0 109.532 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.16 -27.96 64.95 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 116.618 -0.264 . . . . 25.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.7 t -85.36 -51.27 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.503 0.668 . . . . 50.0 112.633 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -101.39 -49.5 4.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -168.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -70.21 -16.22 63.03 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 119.361 -0.352 . . . . 75.0 110.5 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -40.53 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 118.443 2.757 . . . . 50.0 118.443 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -87.3 11.05 15.26 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.881 0.872 . . . . 50.0 112.064 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -6.01 0.26 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.203 1.801 . . . . 50.0 115.526 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.14 108.49 1.27 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 173.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.8 121.2 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.259 1.028 . . . . 50.0 112.925 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 113.652 -1.613 . . . . 25.0 111.457 -175.041 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.352 0 N-CA-C 111.168 -0.773 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -105.64 144.38 32.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.74 -29.25 69.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.615 0.721 . . . . 50.0 110.114 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -28.18 68.54 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.885 0.698 . . . . 50.0 112.885 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.77 -28.92 40.31 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.017 -0.673 . . . . 75.0 112.025 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -22.09 64.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.275 1.036 . . . . 25.0 109.449 177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.02 -58.77 6.07 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 114.948 -1.024 . . . . 25.0 112.302 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.7 ptp -57.13 -28.81 63.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.688 0.625 . . . . 50.0 112.688 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.91 -33.98 76.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 50.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -72.79 -37.94 67.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.546 -0.461 . . . . 25.0 111.083 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -37.05 83.39 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.53 -38.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.836 -0.802 . . . . 50.0 108.836 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.909 0.336 . . . . 50.0 111.909 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -85.77 -32.08 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.02 -57.23 6.49 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 122.443 1.116 . . . . 50.0 110.352 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.47 -14.19 62.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.803 -1.544 . . . . 50.0 111.238 -176.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.3 76.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -99.09 -13.93 19.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.05 0.759 . . . . 50.0 113.05 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.3 m -64.18 155.41 31.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.655 -0.653 . . . . 25.0 111.619 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.43 -20.47 30.09 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 111.648 -0.581 . . . . 25.0 111.648 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -64.74 -34.59 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.19 0.441 . . . . 50.0 112.19 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -105.62 41.74 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 124.981 2.324 . . . . 50.0 116.673 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.46 -30.7 9.12 Favored Glycine 0 C--N 1.286 -2.219 0 CA-C-N 112.653 -2.067 . . . . 50.0 114.193 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -143.93 164.88 29.31 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 121.855 0.836 . . . . 25.0 112.795 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -76.8 -15.5 59.71 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 125.76 1.624 . . . . 25.0 112.095 -170.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -110.24 6.52 22.65 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.212 1.006 . . . . 50.0 109.105 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -127.41 152.08 47.98 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.891 -1.504 . . . . 50.0 107.792 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.44 149.0 23.62 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 105.2 -2.148 . . . . 50.0 105.2 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.6 153.47 28.0 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.29 -0.564 . . . . 50.0 111.318 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -56.79 -40.42 75.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.901 -0.591 . . . . 50.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -55.33 -44.66 76.09 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.016 0.747 . . . . 50.0 113.016 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.18 -38.11 81.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.464 0.65 . . . . 50.0 110.203 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.31 -38.19 90.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 50.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.61 -32.81 74.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.356 . . . . 50.0 110.551 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -82.9 -39.78 21.06 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.84 -32.47 67.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.636 -0.665 . . . . 50.0 110.389 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.597 -0.689 . . . . 50.0 110.433 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.48 -22.36 51.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.411 -0.516 . . . . 50.0 111.043 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -31.65 22.51 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.22 -45.4 8.26 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.877 0.695 . . . . 50.0 112.877 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.26 -61.86 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.312 -0.404 . . . . 50.0 110.892 -174.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 46.24 34.7 2.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.459 1.281 . . . . 50.0 114.459 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.6 -43.3 0.08 OUTLIER Glycine 0 C--O 1.225 -0.428 0 CA-C-O 121.428 0.46 . . . . 50.0 112.531 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.85 -14.48 61.09 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.364 -1.08 . . . . 50.0 113.353 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -20.86 66.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.216 -0.902 . . . . 50.0 109.94 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.19 -26.01 13.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 123.489 1.614 . . . . 25.0 109.305 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.5 48.69 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.651 -1.159 . . . . 25.0 110.918 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.94 132.88 48.85 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 125.695 1.598 . . . . 75.0 109.278 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -116.35 -29.33 6.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.45 0.907 . . . . 50.0 113.45 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -76.68 92.91 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.21 0.528 . . . . 50.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.76 -35.76 74.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.954 -0.566 . . . . 50.0 110.929 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 19.1 t70 -67.41 -31.49 71.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 50.0 111.154 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -54.77 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.837 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.48 -32.54 58.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.23 0.456 . . . . 50.0 112.23 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.61 -44.33 86.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.292 0.568 . . . . 50.0 110.041 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.402 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 0.8 OUTLIER -68.97 -31.4 70.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.934 -177.502 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -77.52 -43.91 29.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.071 -0.513 . . . . 50.0 109.829 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.18 -40.73 96.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.472 -0.768 . . . . 50.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -71.58 -25.15 62.07 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 119.913 -0.715 . . . . 50.0 111.527 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.41 56.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 105.454 -2.054 . . . . 50.0 105.454 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -33.31 73.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.781 -1.1 . . . . 50.0 111.367 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.1 -33.64 74.91 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.717 -0.614 . . . . 25.0 112.356 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -86.64 -31.58 21.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.883 0.849 . . . . 50.0 111.807 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -103.47 4.58 36.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.977 -1.01 . . . . 50.0 113.527 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -30.82 73.82 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 116.055 -0.52 . . . . 25.0 113.64 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -0.98 48.67 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.72 -178.31 39.46 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 107.705 -2.158 . . . . 50.0 107.705 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -119.93 144.24 47.55 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 112.908 -1.646 . . . . 50.0 112.7 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -143.06 -179.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.94 -1.027 . . . . 50.0 109.144 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.42 -174.2 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 122.407 0.283 . . . . 50.0 110.578 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -57.34 -38.64 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.859 0.689 . . . . 50.0 112.859 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.261 0.553 . . . . 50.0 109.652 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.51 -32.0 69.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.478 . . . . 50.0 110.397 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -68.22 -44.43 75.75 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.296 -0.878 . . . . 50.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -31.53 52.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.031 -0.418 . . . . 50.0 111.912 -177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.48 -27.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 121.382 -0.823 . . . . 50.0 110.289 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -66.72 -29.95 70.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.644 -0.502 . . . . 50.0 109.644 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.43 -31.35 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 119.006 -1.077 . . . . 50.0 109.407 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.66 62.8 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.056 -0.403 . . . . 25.0 111.564 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.87 74.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.432 0.634 . . . . 25.0 109.454 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 31.3 mt -75.74 -34.0 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.2 -0.667 . . . . 50.0 109.2 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -45.2 78.29 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.729 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.66 -32.3 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 119.587 -0.845 . . . . 50.0 110.299 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.36 -26.53 63.77 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 122.144 -0.347 . . . . 25.0 110.364 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.41 -51.07 6.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -105.15 -38.39 6.57 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -170.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -20.33 62.21 Favored 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.941 -0.763 . . . . 75.0 108.941 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.478 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.0 OUTLIER -46.27 -20.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.612 1.708 . . . . 50.0 115.612 177.147 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -76.44 10.9 1.81 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.878 0.871 . . . . 50.0 112.717 173.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.478 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.98 -19.87 61.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.252 0.621 . . . . 50.0 110.662 174.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.81 154.85 39.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 123.8 17.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.353 0.597 . . . . 50.0 109.652 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.245 0.819 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 -177.409 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -105.55 -178.09 3.55 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 124.35 1.06 . . . . 25.0 112.23 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.94 -32.39 40.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 50.0 110.308 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -33.69 73.69 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 113.325 0.861 . . . . 50.0 113.325 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.45 -28.81 56.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -66.06 -23.08 66.47 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 121.86 0.838 . . . . 25.0 109.932 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.17 29.63 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 114.789 -1.096 . . . . 25.0 113.846 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.3 ptp -61.23 -24.72 66.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 50.0 112.795 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.14 -33.45 75.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.17 0.51 . . . . 50.0 110.246 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.8 p -76.17 -38.76 56.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 25.0 111.535 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.43 87.35 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.195 -1.039 . . . . 50.0 108.195 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.34 -39.52 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -46.17 73.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.922 0.139 . . . . 50.0 111.037 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -85.53 -30.28 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 112.532 0.567 . . . . 50.0 112.532 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.98 -58.6 5.17 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.46 1.124 . . . . 50.0 111.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.16 -14.59 62.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.171 -1.377 . . . . 50.0 111.17 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.81 79.79 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.489 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -103.65 -10.32 18.48 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.957 1.095 . . . . 50.0 113.957 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -58.65 141.89 51.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -173.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.91 8.32 26.11 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.032 0.773 . . . . 25.0 115.032 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.27 -29.66 64.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.349 1.071 . . . . 50.0 110.371 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.601 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.6 pm0 -95.34 -16.91 22.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.058 -1.883 . . . . 50.0 110.692 -175.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.45 -7.77 7.47 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 117.105 1.602 . . . . 50.0 117.105 173.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -137.74 133.87 34.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.547 1.173 . . . . 25.0 112.486 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -72.45 -18.4 61.7 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.675 -0.641 . . . . 25.0 111.803 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -82.35 -2.06 51.7 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.89 0.852 . . . . 50.0 111.552 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -130.55 170.97 13.55 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 113.907 -1.497 . . . . 50.0 109.808 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -154.57 143.57 21.02 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 168.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 97.4 p -67.64 148.51 51.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.46 -44.91 89.43 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.176 0.444 . . . . 50.0 111.217 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -55.05 -40.43 70.28 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 50.0 111.609 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.56 -37.79 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.986 -0.552 . . . . 50.0 110.875 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -35.25 79.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.492 -0.322 . . . . 50.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.66 -40.36 20.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.74 -29.66 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.451 -0.781 . . . . 50.0 110.167 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.25 -43.59 94.42 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.071 -0.393 . . . . 50.0 110.103 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -80.12 -22.78 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.606 -0.683 . . . . 50.0 110.977 -175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.58 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.754 0.279 . . . . 25.0 111.754 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.18 -45.12 6.01 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.876 0.695 . . . . 50.0 112.876 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -58.84 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 50.0 111.754 -174.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.92 24.57 0.37 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.845 1.794 . . . . 50.0 115.845 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.77 -56.33 0.11 Allowed Glycine 0 C--O 1.228 -0.269 0 CA-C-O 121.76 0.644 . . . . 50.0 112.828 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.39 -21.59 62.84 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -27.18 66.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.219 -0.9 . . . . 50.0 110.12 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.84 -25.67 14.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.717 1.246 . . . . 25.0 109.492 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.53 -9.86 51.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.348 -1.296 . . . . 25.0 112.306 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.85 140.84 58.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 122.64 0.376 . . . . 50.0 111.652 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -123.15 -20.89 5.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.262 0.467 . . . . 50.0 112.262 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.93 96.15 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.147 0.499 . . . . 50.0 110.086 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.66 -34.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.065 0.546 . . . . 50.0 112.37 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.63 -35.66 73.04 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.117 -1.033 . . . . 50.0 109.899 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.67 50.5 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.472 -0.491 . . . . 25.0 109.85 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.4 -34.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.841 -0.344 . . . . 50.0 111.287 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -65.88 -42.6 90.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.971 0.415 . . . . 50.0 110.797 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -78.84 -28.84 44.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.5 t -80.91 -42.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 122.064 0.146 . . . . 50.0 110.784 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.24 -0.984 . . . . 50.0 109.57 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -20.69 63.95 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.19 -0.604 . . . . 50.0 111.777 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -78.42 -50.57 11.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.162 -1.792 . . . . 50.0 106.162 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -30.62 71.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.459 -0.792 . . . . 50.0 111.122 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.88 -36.86 83.25 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.922 -0.486 . . . . 25.0 112.271 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -84.38 -32.08 24.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.945 0.878 . . . . 50.0 111.747 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -105.28 2.09 28.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.41 -1.268 . . . . 50.0 113.999 -169.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.35 63.91 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.541 0.577 . . . . 25.0 114.541 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.28 -9.41 58.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.837 0.318 . . . . 25.0 111.266 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.69 -161.2 37.09 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-O 122.663 1.146 . . . . 50.0 110.549 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 8.1 pt-20 -137.55 153.54 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.333 1.234 . . . . 50.0 114.333 -173.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.53 -178.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.413 -1.267 . . . . 50.0 108.367 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -127.43 -174.11 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.825 0.284 . . . . 50.0 110.627 -174.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.06 -39.7 79.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.508 0.559 . . . . 50.0 112.508 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -65.79 -39.1 90.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.808 -0.558 . . . . 50.0 109.732 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -34.18 76.83 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.803 -0.759 . . . . 50.0 110.14 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.39 -43.02 82.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.918 -0.489 . . . . 50.0 110.931 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -30.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.045 -0.409 . . . . 50.0 111.394 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.58 -39.96 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.889 -0.782 . . . . 50.0 108.889 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.95 -34.56 77.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.433 -0.349 . . . . 50.0 111.76 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.09 -34.89 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 119.393 -0.923 . . . . 50.0 109.509 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.63 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.979 -0.451 . . . . 25.0 111.826 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.82 74.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.16 -36.71 69.39 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.967 -0.753 . . . . 50.0 108.967 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -47.5 71.8 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.694 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.12 -33.56 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.05 -0.66 . . . . 50.0 110.381 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -33.97 62.65 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.562 -0.455 . . . . 25.0 109.878 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.17 -48.16 16.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -105.27 -46.35 4.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.314 21.4 m120 -73.56 -16.5 61.26 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 124.962 1.305 . . . . 75.0 112.919 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.437 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 13.4 p90 -47.69 -15.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.801 2.149 . . . . 50.0 116.801 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -83.08 11.19 6.65 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-O 121.945 0.879 . . . . 50.0 110.163 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.437 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.54 -7.95 0.48 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.913 1.449 . . . . 50.0 114.913 176.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -54.53 117.44 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.229 1.014 . . . . 25.0 110.843 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.76 135.27 36.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.448 -0.796 . . . . 50.0 109.547 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.239 0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 -177.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.413 0 N-CA-C 112.84 -0.104 . . . . 25.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p -76.17 163.26 27.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.581 0.705 . . . . 25.0 109.555 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.86 -38.96 69.99 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.342 -0.849 . . . . 50.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -31.42 72.61 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 113.917 1.08 . . . . 50.0 113.917 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.34 -30.14 60.17 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 112.634 0.605 . . . . 75.0 112.634 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -70.29 -22.76 62.82 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -54.26 34.64 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.7 ptp -59.74 -26.11 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.319 0.859 . . . . 50.0 113.319 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.01 -32.61 74.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.424 0.631 . . . . 50.0 110.845 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -77.75 -35.38 51.87 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.379 -0.528 . . . . 25.0 111.216 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.61 -35.76 81.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.4 -39.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 50.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.21 74.8 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 123.295 0.372 . . . . 50.0 111.754 -176.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -86.82 -29.13 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.46 -58.75 3.85 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 122.594 1.187 . . . . 50.0 111.158 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.63 -14.11 62.35 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.834 -1.53 . . . . 50.0 111.049 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.22 75.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.036 -0.728 . . . . 25.0 109.036 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -107.57 -3.32 19.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.996 1.48 . . . . 50.0 114.996 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -61.51 154.79 23.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.39 9.66 52.75 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.343 0.897 . . . . 25.0 115.343 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -70.85 -29.46 65.6 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.567 1.175 . . . . 50.0 109.526 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' B' ' 22' ' ' GLU . 2.0 pm0 -98.01 -15.0 20.25 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.868 -1.969 . . . . 50.0 112.039 -174.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.13 7.74 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 117.439 1.735 . . . . 50.0 117.439 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.17 151.16 51.97 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.745 2.128 . . . . 25.0 116.745 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -26.87 68.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -175.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.37 9.2 23.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 111.95 0.352 . . . . 50.0 111.95 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.07 157.37 29.07 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 107.671 -1.233 . . . . 50.0 107.671 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 2.1 tp -147.95 141.12 25.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.371 -1.344 . . . . 50.0 107.371 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 79.2 p -70.44 146.43 50.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.788 -1.19 . . . . 50.0 107.788 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -56.11 -42.75 77.3 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -56.03 -38.12 70.11 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 113.237 0.829 . . . . 50.0 113.237 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.46 -40.12 77.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.375 0.607 . . . . 50.0 110.115 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.87 -38.26 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.75 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -60.01 -38.77 83.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.636 -0.256 . . . . 50.0 110.487 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -82.73 -41.25 19.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.41 -31.22 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.849 -0.74 . . . . 50.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -44.15 92.29 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.989 -0.444 . . . . 50.0 110.843 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.55 -22.61 43.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.584 -0.846 . . . . 50.0 111.172 -173.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -31.11 56.29 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.174 0.296 . . . . 25.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -96.96 -44.56 6.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.304 0.853 . . . . 50.0 113.304 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -66.53 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.63 -0.714 . . . . 50.0 110.803 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.86 30.37 1.2 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.826 1.417 . . . . 50.0 114.826 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.96 -56.96 0.08 OUTLIER Glycine 0 C--O 1.224 -0.496 0 CA-C-O 122.057 0.809 . . . . 50.0 113.468 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -26.97 66.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.304 -0.862 . . . . 50.0 109.598 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.59 -23.23 17.73 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.661 1.22 . . . . 25.0 109.419 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 -12.35 60.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.494 -1.23 . . . . 25.0 111.867 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.88 141.42 58.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.133 -0.485 . . . . 75.0 111.661 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -123.08 -23.86 4.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -74.7 95.49 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 50.0 110.891 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.88 -34.74 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.223 0.453 . . . . 50.0 112.223 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.37 -37.01 74.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.234 -0.986 . . . . 50.0 110.123 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.62 -50.21 53.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.57 -36.11 75.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.667 -0.413 . . . . 50.0 110.404 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.48 -46.98 74.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.991 0.424 . . . . 50.0 111.031 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -76.96 -24.79 52.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -86.18 -40.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 122.53 0.332 . . . . 50.0 110.614 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.8 mmm -62.96 -41.36 99.51 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.361 -0.936 . . . . 50.0 108.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -72.51 -24.57 61.17 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.532 0.567 . . . . 50.0 112.532 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -70.92 -46.79 61.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 105.716 -1.957 . . . . 50.0 105.716 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -32.85 74.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.614 -1.176 . . . . 50.0 110.4 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.96 -34.3 77.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -85.34 -32.31 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.904 0.859 . . . . 50.0 111.477 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -103.68 3.67 34.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.912 -1.04 . . . . 50.0 113.1 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.09 -31.41 72.83 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.004 0.761 . . . . 25.0 115.004 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -80.46 -1.13 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.735 0.303 . . . . 25.0 111.543 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.71 -160.46 36.57 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.921 -1.672 . . . . 50.0 108.921 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -142.69 148.18 36.91 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.875 1.065 . . . . 50.0 113.875 -174.018 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.49 -179.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.205 -1.361 . . . . 50.0 108.575 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -127.2 -174.26 3.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.404 0.547 . . . . 50.0 112.089 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -56.96 -41.95 79.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -62.94 -39.06 93.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -31.49 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.267 -0.573 . . . . 50.0 111.221 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -68.12 -40.49 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.739 -0.837 . . . . 50.0 108.739 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.7 t -59.09 -37.36 67.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.564 -0.743 . . . . 50.0 111.572 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.27 -38.53 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.74 -36.06 83.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.314 -0.403 . . . . 50.0 111.796 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.77 -32.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 119.469 -0.892 . . . . 50.0 109.133 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.09 -20.57 60.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.74 -36.78 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -43.85 78.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.199 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -68.27 -34.14 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.829 -0.748 . . . . 50.0 109.909 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.4 68.52 Favored 'General case' 0 C--O 1.207 -1.159 0 C-N-CA 119.826 -0.749 . . . . 25.0 109.378 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.61 -42.6 24.59 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.788 1.403 . . . . 50.0 114.788 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -112.67 -33.07 6.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -81.83 -21.16 37.77 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 113.233 0.827 . . . . 75.0 113.233 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.556 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 3.8 p90 -43.88 -15.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 118.135 2.642 . . . . 50.0 118.135 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.22 5.44 10.27 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.987 -0.446 . . . . 50.0 111.411 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.556 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.42 -8.27 2.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.131 1.53 . . . . 50.0 115.131 177.142 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -63.41 138.22 58.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.801 0.81 . . . . 25.0 111.341 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -94.7 156.17 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 50.0 109.459 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.251 1.171 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.522 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.848 0 N-CA-C 111.286 -0.726 . . . . 25.0 111.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -105.55 -178.48 3.67 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 123.408 0.683 . . . . 25.0 109.282 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -79.7 -18.79 50.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.287 0.565 . . . . 50.0 110.375 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -25.3 66.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.133 0.42 . . . . 50.0 112.133 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -31.18 44.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.242 0.544 . . . . 50.0 111.97 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -25.13 67.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.674 1.226 . . . . 25.0 108.105 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -57.91 9.84 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.41 -0.806 . . . . 25.0 112.488 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -59.26 -27.62 65.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.275 0.472 . . . . 50.0 112.275 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.09 -34.12 76.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 50.0 110.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' HG1' ' HB3' ' B' ' 7' ' ' ALA . 30.2 p -76.2 -36.42 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 111.584 -177.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.83 -37.57 88.07 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 108.875 -0.787 . . . . 50.0 108.875 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.69 -39.62 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.497 -0.927 . . . . 50.0 108.497 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -47.33 76.98 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 116.677 -0.238 . . . . 50.0 111.283 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -81.85 -31.55 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.0 -57.79 6.19 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 122.455 1.121 . . . . 50.0 109.838 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.918 -1.492 . . . . 50.0 111.197 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -98.08 -4.49 35.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.597 0.591 . . . . 50.0 112.597 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -67.83 156.29 37.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.8 41.8 Favored Glycine 0 C--O 1.223 -0.553 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.825 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -67.48 -27.96 67.45 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.585 -0.362 . . . . 50.0 110.405 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -77.97 -27.62 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.668 0.747 . . . . 50.0 110.784 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.6 -30.77 4.14 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.974 -1.25 . . . . 50.0 109.974 -175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -114.78 160.14 19.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.471 0.653 . . . . 25.0 109.98 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.82 -15.09 26.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.142 1.377 . . . . 25.0 112.087 -168.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -108.58 5.12 24.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.231 1.015 . . . . 50.0 108.803 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.79 157.15 43.62 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 105.916 -1.883 . . . . 50.0 105.916 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -155.16 160.21 40.74 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.075 -1.454 . . . . 50.0 107.075 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -82.32 152.2 26.39 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.152 -0.619 . . . . 50.0 109.333 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -58.28 -39.89 80.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.505 0.193 . . . . 50.0 111.137 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -59.21 -35.36 73.49 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.77 -39.83 76.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.525 0.679 . . . . 50.0 109.777 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.05 -38.33 90.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.411 -0.813 . . . . 50.0 110.665 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.07 -41.67 79.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.859 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -82.66 -39.43 22.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.71 -30.25 69.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.819 -0.753 . . . . 50.0 110.13 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.978 -0.451 . . . . 50.0 110.692 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.86 -22.56 36.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.084 -0.646 . . . . 50.0 110.348 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -36.39 55.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.99 -45.16 8.07 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 112.971 0.73 . . . . 50.0 112.971 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD21 ' H ' ' A' ' 44' ' ' PHE . 1.2 tt -85.49 -58.77 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 50.0 112.123 -172.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p 45.78 26.75 0.39 Allowed 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 117.063 2.246 . . . . 50.0 117.063 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' H ' HD21 ' A' ' 41' ' ' LEU . . . -130.74 -56.36 0.09 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.853 0.696 . . . . 50.0 113.405 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' H ' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -70.41 -17.79 63.02 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 114.108 1.151 . . . . 50.0 114.108 -174.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -25.83 68.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.987 -1.006 . . . . 50.0 109.392 175.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.09 -16.55 17.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 122.875 1.321 . . . . 25.0 109.489 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.02 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.649 -1.16 . . . . 25.0 110.802 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -67.83 129.72 40.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.416 -0.356 . . . . 50.0 111.195 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -115.61 -21.39 9.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.473 0.309 . . . . 50.0 111.452 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -75.65 97.87 3.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 50.0 110.998 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.15 -34.07 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.53 . . . . 50.0 111.965 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.4 -37.02 74.4 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.244 -0.982 . . . . 50.0 110.032 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -50.6 57.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.546 -0.538 . . . . 25.0 109.546 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.88 -35.75 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.468 -0.493 . . . . 50.0 110.76 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.64 -42.26 95.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.951 0.405 . . . . 50.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -79.66 -29.31 40.84 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.6 -40.38 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 122.094 0.158 . . . . 50.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtm -63.54 -41.88 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.264 -0.975 . . . . 50.0 109.56 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -72.54 -19.58 61.48 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.498 -0.481 . . . . 50.0 112.261 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -49.04 17.94 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 105.861 -1.903 . . . . 50.0 105.861 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -32.2 73.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.309 -0.86 . . . . 50.0 111.128 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -66.42 -34.46 78.01 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 121.765 -0.585 . . . . 25.0 112.126 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -85.69 -32.7 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.728 0.775 . . . . 50.0 112.104 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -106.67 4.56 27.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 50.0 113.595 -169.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.6 67.32 Favored Glycine 0 CA--C 1.508 -0.403 0 CA-C-N 116.46 -0.336 . . . . 25.0 113.661 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.08 2.48 39.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.75 -178.34 35.09 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 106.48 -2.648 . . . . 50.0 106.48 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 148.95 48.32 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 113.223 -1.489 . . . . 50.0 113.996 -169.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.49 -178.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 113.879 -1.51 . . . . 50.0 109.727 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -131.1 -174.13 3.3 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.118 -0.364 . . . . 50.0 110.919 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.01 -38.78 73.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.54 0.57 . . . . 50.0 112.54 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -66.37 -40.85 89.98 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 109.879 -0.415 . . . . 50.0 109.879 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.02 -31.55 70.44 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.593 -0.692 . . . . 50.0 110.462 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -67.73 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.671 -0.643 . . . . 50.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -28.41 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 121.873 -0.517 . . . . 50.0 111.227 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.57 -40.08 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.736 -0.838 . . . . 50.0 108.736 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.68 -34.26 77.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.53 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.41 -33.21 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 119.389 -0.924 . . . . 50.0 109.578 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -20.67 63.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.769 -0.582 . . . . 25.0 111.926 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.55 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.58 -37.18 71.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -45.39 76.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.773 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.91 -32.04 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.508 -0.877 . . . . 50.0 110.212 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.81 -25.45 59.04 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.626 -0.671 . . . . 25.0 110.511 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -84.09 -52.66 6.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.64 0.608 . . . . 50.0 112.64 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -104.55 -42.12 5.52 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -170.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 121.678 -0.639 . . . . 75.0 109.33 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -45.9 -21.9 0.16 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.575 1.694 . . . . 50.0 115.575 175.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' HB2' ' HH ' ' B' ' 26' ' ' TYR . 66.8 m-85 -76.8 11.09 1.85 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.597 -0.729 . . . . 50.0 112.52 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.477 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -62.03 -17.28 56.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.861 0.864 . . . . 50.0 109.824 173.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -111.8 168.25 9.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.518 0.675 . . . . 25.0 111.569 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -86.12 77.98 9.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 123.291 1.52 . . . . 50.0 108.626 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--N 1.306 -1.29 0 CA-C-N 112.487 -2.142 . . . . 25.0 111.867 178.754 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.487 0 N-CA-C 110.659 -0.977 . . . . 25.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -78.03 160.94 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.375 0.607 . . . . 25.0 110.985 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.38 -42.13 88.37 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.78 -0.575 . . . . 50.0 112.516 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -68.27 -28.47 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.616 0.969 . . . . 50.0 113.616 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.96 -30.59 31.64 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.873 -0.731 . . . . 75.0 111.702 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.9 m -67.63 -22.39 65.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.476 ' HB3' ' HG1' ' A' ' 10' ' ' THR . . . -53.24 -56.74 14.12 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.699 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.2 ptp -61.42 -24.16 66.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.97 -32.24 73.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.517 0.675 . . . . 50.0 110.626 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.8 p -75.08 -38.69 61.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.236 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -37.24 86.03 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.308 -0.997 . . . . 50.0 108.308 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.17 -42.01 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.589 -0.523 . . . . 50.0 109.589 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.7 77.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.617 0.228 . . . . 50.0 111.617 -176.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -85.49 -29.93 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -68.14 -59.51 3.18 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.134 0.969 . . . . 50.0 110.112 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.63 -19.08 65.69 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.093 -1.412 . . . . 50.0 110.991 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.67 91.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.383 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -105.43 -4.16 21.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.54 157.61 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.1 1.518 . . . . 25.0 115.1 -174.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.81 -8.65 31.91 Favored Glycine 0 CA--C 1.508 -0.35 0 CA-C-N 114.99 -1.004 . . . . 25.0 112.672 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.69 -38.04 86.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 110.018 -0.364 . . . . 50.0 110.018 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.27 41.76 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 125.267 2.461 . . . . 50.0 116.031 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 -30.74 6.66 Favored Glycine 0 C--N 1.286 -2.206 0 CA-C-N 112.141 -2.299 . . . . 50.0 115.248 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.09 157.2 46.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.315 1.055 . . . . 25.0 112.33 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -66.14 -16.33 63.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.489 1.515 . . . . 25.0 113.957 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.428 ' HH ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 m-85 -107.35 11.12 29.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.265 0.555 . . . . 50.0 110.284 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.32 149.24 52.1 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.396 -0.82 . . . . 50.0 109.771 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mt -154.41 157.28 38.25 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.3 p -76.27 156.47 33.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.334 -0.988 . . . . 50.0 108.334 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -58.15 -42.56 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.964 -0.294 . . . . 50.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -59.35 -38.75 81.17 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 112.813 0.671 . . . . 50.0 112.813 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.96 -36.19 83.14 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.332 0.586 . . . . 50.0 110.809 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.28 -38.34 87.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.546 . . . . 50.0 110.371 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 -34.13 76.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.934 -0.395 . . . . 50.0 109.934 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.62 -42.3 52.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.675 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.31 -30.81 62.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.728 -0.608 . . . . 50.0 110.952 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.34 -42.02 99.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.79 -0.569 . . . . 50.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.05 -22.29 45.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.553 -0.459 . . . . 50.0 110.602 -174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -32.32 44.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.438 0.461 . . . . 25.0 111.469 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -98.47 -45.13 6.23 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 114.09 1.144 . . . . 50.0 114.09 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.57 HD21 ' H ' ' B' ' 44' ' ' PHE . 1.5 tt -81.49 -59.03 2.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.062 -174.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 46.73 26.08 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.397 1.999 . . . . 50.0 116.397 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.78 -57.65 0.1 OUTLIER Glycine 0 C--O 1.226 -0.387 0 CA-C-O 121.937 0.743 . . . . 50.0 113.232 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.57 ' H ' HD21 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -68.2 -23.19 64.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.709 1.003 . . . . 50.0 113.709 -174.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -24.94 67.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.167 -0.924 . . . . 50.0 110.59 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.74 -19.63 14.67 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.723 1.249 . . . . 25.0 109.332 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.88 -2.54 37.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.491 -1.231 . . . . 25.0 112.051 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -70.75 143.52 51.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.775 0.321 . . . . 75.0 111.351 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -116.73 -27.21 6.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.609 0.364 . . . . 50.0 111.812 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -76.17 92.66 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 50.0 110.948 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.51 -35.07 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.012 0.375 . . . . 50.0 112.012 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.05 -38.16 75.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.282 -0.967 . . . . 50.0 109.939 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.45 59.01 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -64.41 -36.03 76.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.535 -0.466 . . . . 50.0 110.361 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.27 -48.43 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.895 0.379 . . . . 50.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -75.14 -28.99 60.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -86.68 -40.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.179 -0.464 . . . . 50.0 110.968 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.1 mtm -65.6 -33.42 75.86 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 118.918 -1.113 . . . . 50.0 110.077 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -75.95 -28.64 58.01 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 120.664 -0.414 . . . . 50.0 111.805 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.6 -48.6 66.35 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 106.29 -1.744 . . . . 50.0 106.29 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -30.15 71.35 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.891 -1.049 . . . . 50.0 110.796 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.62 -38.08 77.1 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.531 -0.731 . . . . 25.0 112.583 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.33 -31.39 26.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.721 0.772 . . . . 50.0 110.701 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -100.43 6.34 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.015 -0.993 . . . . 50.0 112.024 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.74 -26.76 67.31 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.745 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.65 2.95 35.01 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 123.899 0.411 . . . . 25.0 111.552 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.32 -179.1 34.11 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 107.861 -2.095 . . . . 50.0 107.861 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -117.52 141.22 48.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 112.9 -1.65 . . . . 50.0 114.471 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 m -148.16 -178.76 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.52 -1.218 . . . . 50.0 111.15 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -133.04 -174.16 3.4 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -171.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.29 -39.52 72.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.694 0.627 . . . . 50.0 112.694 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.6 -38.3 90.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.919 -0.4 . . . . 50.0 109.919 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.79 -38.5 91.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 50.0 110.154 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -63.69 -40.87 97.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 50.0 109.119 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -58.4 -38.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.204 -0.907 . . . . 50.0 112.025 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.17 -39.19 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.95 -35.4 79.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.478 0.547 . . . . 50.0 112.478 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -74.94 -33.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.315 -0.994 . . . . 50.0 108.315 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.2 -20.61 61.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.73 -35.02 75.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.08 -37.36 72.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -42.26 80.41 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.04 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.463 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.9 m -68.48 -34.94 68.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.192 -1.003 . . . . 50.0 110.044 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.9 60.21 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.71 -0.618 . . . . 25.0 110.343 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.63 -43.36 13.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.334 0.864 . . . . 50.0 113.334 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.98 -34.57 3.5 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.782 1.401 . . . . 25.0 114.782 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.463 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -69.17 -17.92 63.87 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 109.191 -0.67 . . . . 75.0 109.191 177.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.548 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.7 OUTLIER -49.4 -15.64 0.15 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.714 1.746 . . . . 50.0 115.714 176.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -76.43 10.94 1.78 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.149 0.58 . . . . 50.0 111.892 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.548 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.54 -14.4 41.73 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.565 0.746 . . . . 50.0 111.93 176.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.62 137.49 55.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.382 -0.969 . . . . 25.0 108.382 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.98 125.05 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.528 0.68 . . . . 50.0 109.469 -177.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.248 0.986 0 CA-C-N 114.683 -1.144 . . . . 25.0 111.202 -177.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 CA-C-O 119.227 -0.763 . . . . 25.0 111.571 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -66.87 156.34 35.96 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.69 -46.79 89.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.758 0.651 . . . . 50.0 112.758 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.25 -32.73 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.778 1.029 . . . . 50.0 113.778 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.03 -23.09 36.1 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 119.921 -0.712 . . . . 50.0 111.464 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -74.4 -22.27 59.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.34 -57.24 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 ptp -60.94 -24.42 66.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.582 0.956 . . . . 50.0 113.582 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.0 -31.35 72.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.405 0.622 . . . . 50.0 110.082 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p -77.44 -37.65 51.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.085 -0.385 . . . . 25.0 111.182 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -37.07 86.35 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.17 -42.73 94.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -46.19 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.103 0.252 . . . . 50.0 111.282 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -84.67 -31.27 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 112.706 0.632 . . . . 50.0 112.706 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.94 -56.96 7.95 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.619 1.199 . . . . 50.0 110.613 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -70.85 -18.1 62.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.55 -1.659 . . . . 50.0 111.418 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.63 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.784 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.99 -5.96 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.653 0.983 . . . . 50.0 113.653 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -60.82 154.71 21.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 115.396 1.628 . . . . 25.0 115.396 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 6.07 49.83 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.454 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.28 -28.38 64.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.212 -0.581 . . . . 50.0 110.867 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -26.53 23.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.85 -30.87 4.06 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-O 118.792 -1.004 . . . . 50.0 115.58 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.05 156.38 16.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.401 1.6 . . . . 25.0 111.149 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.34 -21.74 58.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 -174.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.64 11.87 29.95 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.232 0.539 . . . . 50.0 111.728 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -132.77 154.74 49.95 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 -171.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mt -152.8 158.54 42.39 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 107.794 -1.187 . . . . 50.0 107.794 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -83.86 151.49 25.1 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.398 -0.964 . . . . 50.0 108.398 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -57.24 -40.06 76.82 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.951 0.352 . . . . 50.0 111.951 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -58.36 -34.33 70.56 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.143 0.794 . . . . 50.0 113.143 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -69.16 -38.98 79.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.052 0.453 . . . . 50.0 110.038 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.79 -37.95 89.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.555 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.87 -38.05 86.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 50.0 110.228 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -42.81 24.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -174.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.18 -30.88 70.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.568 . . . . 50.0 109.767 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.14 -45.18 89.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.772 -0.58 . . . . 50.0 109.793 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -78.09 -22.48 48.89 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.135 -0.626 . . . . 50.0 111.585 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 -27.16 40.89 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.79 -44.89 5.4 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.48 0.918 . . . . 50.0 113.48 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -61.03 1.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.848 -0.614 . . . . 50.0 110.799 -175.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.73 23.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.647 1.721 . . . . 50.0 115.647 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.69 -56.61 0.11 Allowed Glycine 0 C--O 1.226 -0.374 0 CA-C-O 121.848 0.693 . . . . 50.0 112.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -19.54 62.93 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 114.065 1.135 . . . . 50.0 114.065 -173.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -25.48 68.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.18 -0.918 . . . . 50.0 109.62 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -102.35 -18.56 15.36 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.731 1.253 . . . . 25.0 109.367 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.82 -12.62 61.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.73 -1.123 . . . . 25.0 110.419 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.42 133.51 52.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.643 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -117.83 -21.81 8.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.551 0.34 . . . . 50.0 111.411 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -74.52 97.21 3.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.42 0.629 . . . . 50.0 111.503 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.25 -34.24 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 50.0 112.062 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -70.34 -37.98 74.77 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.336 -0.946 . . . . 50.0 110.168 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.99 60.64 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.65 -35.88 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.467 -0.493 . . . . 50.0 110.709 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.25 -40.61 94.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.093 -0.379 . . . . 50.0 110.799 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -80.93 -31.36 35.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -81.53 -39.79 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 119.766 -0.159 . . . . 50.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 mtm -63.57 -42.78 98.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.42 -0.912 . . . . 50.0 110.062 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.38 -32.02 71.8 Favored 'General case' 0 C--O 1.204 -1.312 0 C-N-CA 120.158 -0.617 . . . . 50.0 111.134 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -48.48 71.68 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 107.19 -1.411 . . . . 50.0 107.19 -176.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -32.83 74.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.389 -0.823 . . . . 50.0 110.879 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.05 -35.12 76.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.61 -35.53 33.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.072 0.939 . . . . 50.0 110.907 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -103.55 6.28 37.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.306 1.224 . . . . 50.0 114.306 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.26 -32.44 67.75 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 114.801 0.68 . . . . 25.0 114.801 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -86.25 3.33 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.968 0.359 . . . . 25.0 111.968 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.54 -166.05 42.03 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 107.513 -2.235 . . . . 50.0 107.513 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -128.98 146.83 50.87 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.622 -0.789 . . . . 50.0 112.777 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.65 178.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.778 -1.101 . . . . 50.0 110.28 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -131.92 -174.22 3.36 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.562 0.345 . . . . 50.0 110.551 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.28 -41.62 76.18 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.16 -38.77 91.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.33 -31.18 69.46 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.242 -0.912 . . . . 50.0 110.744 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -40.59 85.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.611 0.719 . . . . 50.0 109.19 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -37.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.69 -0.686 . . . . 50.0 112.309 176.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.02 -41.24 81.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.367 -0.975 . . . . 50.0 108.367 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.26 -34.64 78.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.191 -0.913 . . . . 50.0 112.157 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.75 -34.16 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.307 -0.957 . . . . 50.0 109.085 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -20.7 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.941 -0.475 . . . . 25.0 111.542 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.76 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.61 -36.75 73.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.709 -0.849 . . . . 50.0 108.709 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -45.42 75.22 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.593 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.8 m -68.95 -32.62 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 119.648 -0.821 . . . . 50.0 110.792 -177.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.44 62.35 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.01 -0.431 . . . . 25.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.99 -51.83 6.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -101.9 -50.21 3.74 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.611 -169.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -61.25 -20.72 63.16 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.464 -0.334 . . . . 75.0 111.392 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -41.1 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 118.092 2.627 . . . . 50.0 118.092 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.72 11.15 4.04 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 121.507 -0.745 . . . . 50.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -5.51 0.21 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.047 1.499 . . . . 50.0 115.047 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.67 105.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 25.0 110.12 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -73.44 128.8 36.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.506 0.669 . . . . 50.0 109.899 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -174.646 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.411 0 N-CA-C 111.122 -0.791 . . . . 25.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -74.7 148.07 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.224 0.535 . . . . 25.0 110.247 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.08 -38.87 92.16 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.551 -0.718 . . . . 50.0 109.487 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -28.34 68.58 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.26 0.837 . . . . 50.0 113.26 -175.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.14 -25.26 34.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.881 -0.728 . . . . 75.0 111.111 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.3 m -69.07 -22.25 64.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.13 -58.31 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 25.0 112.017 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -58.81 -27.53 65.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.28 -35.94 76.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.648 0.737 . . . . 50.0 110.817 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.6 p -73.63 -38.55 65.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.745 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -36.89 85.13 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.055 -0.72 . . . . 50.0 109.055 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.62 -40.97 90.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.259 -1.015 . . . . 50.0 108.259 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -45.05 79.29 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 123.442 0.464 . . . . 50.0 111.35 -175.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.2 -33.21 9.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.962 0 CA-C-O 123.848 1.785 . . . . 50.0 113.664 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.26 -56.17 7.43 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 122.789 1.281 . . . . 50.0 111.762 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -69.37 -17.16 63.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.976 -1.465 . . . . 50.0 110.178 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.88 81.43 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -101.68 -8.97 21.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.887 1.44 . . . . 50.0 114.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.6 m -63.45 161.82 13.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.91 -1.64 48.19 Favored Glycine 0 C--O 1.221 -0.664 0 CA-C-N 115.946 -0.57 . . . . 25.0 112.552 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -72.79 -28.4 62.56 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.297 -0.531 . . . . 50.0 112.285 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -26.69 37.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.215 -1.031 . . . . 50.0 108.215 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.79 -31.21 3.99 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.348 -0.842 . . . . 50.0 113.745 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -96.78 148.8 22.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.696 1.248 . . . . 25.0 110.405 171.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -16.4 61.97 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.45 6.64 30.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.13 0.491 . . . . 50.0 110.797 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -117.76 148.9 41.61 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 122.159 0.98 . . . . 50.0 110.335 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -149.15 150.24 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 106.863 -1.532 . . . . 50.0 106.863 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -79.6 153.08 29.69 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -57.28 -44.62 84.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 121.156 -0.218 . . . . 50.0 111.051 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.2 -38.91 71.62 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.965 1.098 . . . . 50.0 113.965 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.97 -36.46 82.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.431 0.634 . . . . 50.0 110.86 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.19 -36.07 82.42 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.677 -0.692 . . . . 50.0 110.619 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -63.95 -37.77 88.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.268 -0.271 . . . . 50.0 110.268 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.29 -42.64 44.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.678 -174.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.27 -31.9 68.06 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.87 -0.732 . . . . 50.0 109.816 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.19 95.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.752 -0.592 . . . . 50.0 110.249 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.52 -22.75 53.99 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.876 -0.73 . . . . 50.0 110.893 -174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.77 -32.6 25.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.99 -38.87 12.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.568 0.699 . . . . 50.0 112.227 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.48 -62.75 1.42 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.857 -0.611 . . . . 50.0 111.855 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m 46.92 33.4 2.21 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.894 1.442 . . . . 50.0 114.894 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.9 -47.54 0.07 OUTLIER Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.325 -0.464 . . . . 50.0 112.78 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.45 -15.49 61.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -176.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.107 -0.952 . . . . 50.0 110.093 174.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -103.03 -28.49 11.96 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 123.452 1.596 . . . . 25.0 111.131 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.05 -22.23 61.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.801 -1.545 . . . . 25.0 113.774 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.91 133.5 51.03 Favored 'General case' 0 C--O 1.186 -2.246 0 C-N-CA 124.214 1.005 . . . . 75.0 110.465 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -116.89 -28.54 6.27 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 115.781 1.771 . . . . 50.0 115.781 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -76.09 91.22 3.1 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.917 -0.771 . . . . 50.0 108.917 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.48 -35.28 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.649 -0.705 . . . . 50.0 111.858 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -38.83 79.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.496 -0.882 . . . . 50.0 110.288 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.35 -52.15 55.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.349 0.595 . . . . 25.0 109.4 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -67.11 -33.88 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.996 -0.547 . . . . 50.0 111.615 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.46 -46.75 81.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.382 0.61 . . . . 50.0 110.281 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.58 -28.47 61.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.874 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -82.78 -41.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 122.435 0.294 . . . . 50.0 111.309 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.2 mmt -66.31 -39.12 89.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.047 -1.033 . . . . 50.0 109.976 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -70.53 -28.02 64.61 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 119.543 -0.863 . . . . 50.0 110.473 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -67.78 -46.97 70.47 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.889 -1.893 . . . . 50.0 105.889 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -33.6 74.67 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 114.826 -1.079 . . . . 50.0 110.703 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -69.99 -35.69 74.6 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 113.289 0.848 . . . . 25.0 113.289 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.17 -34.79 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.13 0.967 . . . . 50.0 110.502 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -100.67 6.85 44.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.507 -1.224 . . . . 50.0 112.934 -172.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.64 66.62 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 114.585 0.594 . . . . 25.0 114.585 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 0.63 31.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.715 0.265 . . . . 25.0 111.715 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.3 -159.6 34.18 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.974 -1.25 . . . . 50.0 109.974 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.07 151.33 51.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.291 -0.455 . . . . 50.0 112.125 -173.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.63 174.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 50.0 108.998 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.5 -174.22 3.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.455 -0.572 . . . . 50.0 109.455 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.54 -44.04 84.88 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -61.18 -41.81 97.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.01 -29.23 69.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.883 0.373 . . . . 50.0 111.263 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -69.04 -40.62 78.48 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.924 -0.71 . . . . 50.0 109.487 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.16 -36.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.14 -0.482 . . . . 50.0 110.122 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.99 -39.11 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.55 0.691 . . . . 50.0 109.405 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.55 -35.74 80.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.898 -0.592 . . . . 50.0 111.921 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.0 -30.19 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 119.362 -0.935 . . . . 50.0 109.277 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.86 61.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.516 0.674 . . . . 25.0 109.184 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.57 -35.37 46.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 50.0 109.887 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -46.4 76.59 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -64.51 -36.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.79 63.39 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.32 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.59 -49.77 9.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -106.91 -34.48 7.2 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -82.63 -16.04 49.83 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.791 -0.568 . . . . 75.0 110.253 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 64.2 t80 -40.9 -19.32 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 118.864 2.913 . . . . 50.0 118.864 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.02 11.27 18.77 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.337 0.655 . . . . 50.0 111.341 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.403 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -53.53 -21.64 6.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.193 0.997 . . . . 50.0 113.62 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.78 103.29 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -79.13 155.88 28.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 50.0 110.108 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.413 -0.803 . . . . 25.0 110.266 179.383 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.334 0 N-CA-C 111.455 -0.658 . . . . 25.0 111.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -105.76 165.62 11.05 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.027 0.531 . . . . 25.0 110.536 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.03 -29.68 64.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.241 -1.022 . . . . 50.0 108.241 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -29.68 69.98 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.106 1.15 . . . . 50.0 114.106 -174.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.81 -23.64 36.38 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.481 -0.488 . . . . 50.0 111.976 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.455 -0.942 . . . . 25.0 108.455 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.89 -55.82 20.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.176 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptp -57.64 -25.76 60.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.021 1.119 . . . . 50.0 114.021 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.23 -31.31 72.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.581 0.705 . . . . 50.0 110.984 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 p -77.06 -37.55 54.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 25.0 111.171 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.36 80.51 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -60.59 -42.98 93.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 50.0 109.775 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.06 74.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.433 0.458 . . . . 50.0 111.495 -176.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.83 -31.08 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.964 0.728 . . . . 50.0 112.964 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.88 -56.68 7.16 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.519 1.152 . . . . 50.0 110.421 -175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -71.91 -16.63 62.12 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.804 -1.544 . . . . 50.0 111.969 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.74 92.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.053 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -100.52 -7.43 24.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.029 0.752 . . . . 50.0 113.029 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 153.73 37.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.546 0.688 . . . . 25.0 110.634 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 -18.89 40.01 Favored Glycine 0 C--O 1.224 -0.502 0 C-N-CA 120.813 -0.708 . . . . 25.0 112.294 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.01 -25.85 68.03 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.507 -0.408 . . . . 50.0 111.29 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.45 -25.89 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.396 0.617 . . . . 50.0 111.114 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.48 -25.96 5.29 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.375 -0.69 . . . . 50.0 111.375 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -120.77 154.56 35.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.203 0.525 . . . . 25.0 110.66 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -8.43 57.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -171.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.93 6.92 25.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.464 -0.939 . . . . 50.0 108.464 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -128.99 154.79 46.27 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.295 -1.32 . . . . 50.0 109.433 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -158.35 141.81 15.18 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 p -72.67 149.15 44.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.553 -0.294 . . . . 50.0 111.148 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -54.17 -43.14 70.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.238 0.459 . . . . 50.0 112.238 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -56.4 -38.1 71.06 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.74 -39.25 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 50.0 109.822 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.08 -37.6 88.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.949 -0.568 . . . . 50.0 110.399 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.91 -30.91 71.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.549 0.214 . . . . 50.0 110.489 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.76 -46.25 13.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.642 -0.254 . . . . 25.0 111.389 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.34 -31.45 71.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.782 -0.574 . . . . 50.0 110.735 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.84 -42.75 99.86 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.059 -0.401 . . . . 50.0 109.955 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.84 -22.8 36.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.671 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -32.51 66.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.528 -0.306 . . . . 25.0 110.49 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.89 -45.13 6.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.273 1.212 . . . . 50.0 114.273 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -65.69 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.146 0.795 . . . . 50.0 113.146 -171.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m 42.68 35.64 0.72 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.574 1.324 . . . . 50.0 114.574 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.62 -52.23 0.06 OUTLIER Glycine 0 C--O 1.223 -0.541 0 CA-C-O 122.044 0.802 . . . . 50.0 112.809 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -13.68 61.36 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 113.916 1.08 . . . . 50.0 113.916 -175.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -24.04 67.38 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.192 -0.913 . . . . 50.0 108.952 176.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.19 -23.45 17.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.921 1.343 . . . . 25.0 109.061 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 -11.3 59.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.1 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.15 139.26 58.66 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.299 -0.25 . . . . 50.0 110.89 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -123.24 -30.61 3.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.292 -0.255 . . . . 50.0 111.273 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.26 87.83 4.94 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.8 -0.444 . . . . 50.0 109.8 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.84 -34.16 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 50.0 110.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.43 -30.93 70.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 50.0 111.144 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -56.36 4.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.132 0.491 . . . . 25.0 110.029 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.43 -32.81 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 112.444 0.535 . . . . 50.0 112.444 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.95 -44.85 88.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.21 0.528 . . . . 50.0 110.084 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -32.45 72.29 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.853 -176.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.83 -44.19 32.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 116.175 -0.466 . . . . 50.0 109.806 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.623 -0.673 . . . . 50.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -23.55 56.72 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.429 -0.508 . . . . 50.0 112.003 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -42.94 62.04 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.904 -1.888 . . . . 50.0 105.904 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -29.43 70.76 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.56 -1.2 . . . . 50.0 110.598 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.17 -33.28 74.17 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.29 -0.881 . . . . 25.0 111.504 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -87.27 -30.9 20.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.786 0.803 . . . . 50.0 111.84 -178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -109.53 5.79 23.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.719 -1.128 . . . . 50.0 112.854 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -30.15 71.16 Favored Glycine 0 CA--C 1.505 -0.553 0 CA-C-N 115.919 -0.582 . . . . 25.0 113.562 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.91 -0.84 41.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.09 -163.88 39.82 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.876 -1.29 . . . . 50.0 109.876 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -127.78 147.81 50.42 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.911 -1.145 . . . . 50.0 112.071 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.45 176.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.15 -174.12 3.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -56.42 -41.44 76.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.922 0.342 . . . . 50.0 111.922 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -61.62 -43.13 99.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.136 -0.32 . . . . 50.0 110.136 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.5 67.14 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.603 -0.439 . . . . 50.0 111.041 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -66.45 -40.81 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.458 -0.776 . . . . 50.0 109.295 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.07 -37.26 76.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.178 -0.464 . . . . 50.0 111.244 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.82 -37.35 73.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.35 -36.64 83.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.278 -0.419 . . . . 50.0 112.114 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.12 -30.96 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 119.501 -0.88 . . . . 50.0 108.689 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.08 -20.59 62.34 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.78 69.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.84 -37.98 58.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 50.0 109.627 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -45.16 82.21 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.333 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.99 -30.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.168 -1.013 . . . . 50.0 110.738 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.36 -24.78 60.37 Favored 'General case' 0 C--O 1.197 -1.662 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -86.85 -51.37 6.11 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.273 0.842 . . . . 50.0 113.273 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -108.37 -49.41 3.19 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -169.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -20.1 65.1 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 118.979 -0.534 . . . . 75.0 111.514 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 71.4 t80 -41.34 -18.32 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.677 2.843 . . . . 50.0 118.677 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -90.08 10.9 22.47 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 123.878 0.871 . . . . 50.0 111.187 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.419 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -53.92 -6.57 0.09 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 127.225 2.21 . . . . 50.0 115.815 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -58.09 121.66 11.19 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -67.62 121.05 15.04 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.265 -0.88 . . . . 50.0 112.931 -162.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 114.257 -1.338 . . . . 25.0 113.064 -176.448 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.32 0 N-CA-C 111.859 -0.496 . . . . 25.0 111.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -73.85 148.96 41.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.245 0.545 . . . . 25.0 110.294 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -37.07 86.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.311 0.577 . . . . 50.0 109.661 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.16 -31.33 72.11 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -175.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -81.8 -22.66 37.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.099 -0.64 . . . . 75.0 111.228 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -73.15 -22.03 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.39 44.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.59 . . . . 25.0 112.456 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.409 ' H ' ' HG2' ' B' ' 8' ' ' MET . 11.8 ptp -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.33 -35.99 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.447 0.641 . . . . 50.0 110.79 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -71.82 -38.87 70.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.145 0.498 . . . . 25.0 110.99 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.77 -36.7 84.29 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.71 -38.19 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.775 -0.824 . . . . 50.0 108.775 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -46.59 77.28 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.633 -0.258 . . . . 50.0 111.135 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.87 -29.04 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 112.739 0.644 . . . . 50.0 112.739 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.28 -57.0 5.89 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.271 1.034 . . . . 50.0 110.735 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -72.37 -15.07 61.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.98 -1.464 . . . . 50.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -117.91 7.42 12.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.227 1.195 . . . . 50.0 114.227 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -67.97 158.99 31.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.622 0.725 . . . . 25.0 109.582 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.32 63.01 Favored Glycine 0 CA--C 1.505 -0.589 0 C-N-CA 120.501 -0.857 . . . . 25.0 111.811 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.73 -22.32 63.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.628 -0.337 . . . . 50.0 110.426 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.72 -27.44 50.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.447 0.641 . . . . 50.0 110.071 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.63 -28.52 4.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.588 -0.733 . . . . 50.0 111.295 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -116.06 149.57 38.71 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.496 1.141 . . . . 25.0 113.059 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -26.73 67.44 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 126.621 1.968 . . . . 25.0 115.441 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -114.55 17.71 17.15 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 122.475 1.131 . . . . 50.0 110.441 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -133.92 154.91 50.75 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.456 -1.702 . . . . 50.0 109.306 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -156.33 142.68 18.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.613 -0.884 . . . . 50.0 108.613 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.1 p -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.752 0.31 . . . . 50.0 110.399 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -55.15 -44.44 75.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.497 -0.32 . . . . 50.0 111.524 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -58.75 -37.95 77.37 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 111.941 0.349 . . . . 50.0 111.941 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.06 -37.21 78.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.457 0.646 . . . . 50.0 110.528 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.79 -37.32 87.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.385 -0.825 . . . . 50.0 110.366 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.9 -35.7 79.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.77 -0.195 . . . . 50.0 110.82 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -79.31 -40.19 31.0 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.716 -0.394 . . . . 25.0 112.054 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.32 -31.69 69.11 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.417 -0.802 . . . . 50.0 109.731 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.59 -43.37 97.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.057 -0.402 . . . . 50.0 110.484 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.84 -22.69 45.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.994 -0.682 . . . . 50.0 111.016 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -32.03 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 25.0 111.21 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -97.29 -45.32 6.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -66.93 0.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.62 -0.718 . . . . 50.0 110.51 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 45.46 32.76 1.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.106 1.15 . . . . 50.0 114.106 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -52.32 0.06 OUTLIER Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.795 0.664 . . . . 50.0 112.845 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -13.81 61.65 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -175.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -23.56 67.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.313 -0.858 . . . . 50.0 109.405 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.93 -14.92 19.33 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.849 1.309 . . . . 25.0 109.24 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.69 -7.03 59.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.55 -1.205 . . . . 25.0 112.211 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.4 139.98 55.8 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.262 -0.274 . . . . 75.0 110.745 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -122.0 -31.85 3.82 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.237 -0.29 . . . . 50.0 110.872 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -78.05 93.8 4.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.815 -0.439 . . . . 50.0 109.815 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.07 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 50.0 111.713 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.35 -38.49 78.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.562 -0.855 . . . . 50.0 110.316 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -54.42 38.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.557 0.694 . . . . 25.0 109.356 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.82 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.63 -0.713 . . . . 50.0 111.97 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.48 -45.04 80.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 50.0 110.406 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -71.5 -27.82 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.42 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.3 -42.99 20.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.248 -0.433 . . . . 50.0 110.29 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.66 -38.64 89.89 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.361 -0.837 . . . . 50.0 110.555 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -22.28 61.48 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.934 -0.706 . . . . 50.0 110.975 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 -47.51 27.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.187 -2.153 . . . . 50.0 105.187 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -29.38 70.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 50.0 111.923 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -35.88 73.48 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.613 -0.68 . . . . 25.0 111.923 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -85.52 -31.0 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.852 0.834 . . . . 50.0 111.892 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -104.43 6.52 35.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.577 -1.192 . . . . 50.0 112.85 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.52 71.79 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.03 -0.532 . . . . 25.0 114.409 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.04 4.41 30.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.129 0.465 . . . . 25.0 111.636 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.01 -162.62 37.85 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 109.305 -1.518 . . . . 50.0 109.305 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.83 146.03 51.47 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.72 -0.74 . . . . 50.0 112.947 -172.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.29 176.84 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.779 -0.646 . . . . 50.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.67 -174.18 3.23 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.51 0.324 . . . . 50.0 110.434 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.23 -38.67 71.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.929 0.715 . . . . 50.0 112.929 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -67.48 -39.78 85.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.072 0.463 . . . . 50.0 109.885 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.26 -29.81 66.68 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.129 -0.629 . . . . 50.0 110.142 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.94 -44.32 69.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.183 -0.948 . . . . 50.0 110.482 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -31.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 122.026 -0.421 . . . . 50.0 111.95 -177.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.31 -28.66 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 121.364 -0.835 . . . . 50.0 109.73 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.37 -27.93 68.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 50.0 110.16 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.26 -32.6 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 118.994 -1.082 . . . . 50.0 109.857 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.66 63.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.99 -0.444 . . . . 25.0 111.585 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 -32.46 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.42 0.629 . . . . 25.0 109.743 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.88 -35.05 62.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.382 -0.599 . . . . 50.0 109.382 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.54 77.99 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 112.211 0.449 . . . . 25.0 112.211 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.4 -33.55 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.108 -1.037 . . . . 50.0 110.279 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.39 65.28 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.948 -0.47 . . . . 25.0 109.749 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -81.53 -43.29 18.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.072 1.138 . . . . 50.0 114.072 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -114.38 -41.94 3.39 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -20.58 64.91 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 119.151 -0.452 . . . . 75.0 111.91 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.513 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.4 p90 -47.17 -15.64 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 117.052 2.241 . . . . 50.0 117.052 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.17 10.87 3.19 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.845 -0.534 . . . . 50.0 111.623 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.08 -16.08 49.62 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.346 0.658 . . . . 50.0 111.801 174.147 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -123.11 127.62 48.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 25.0 110.653 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -99.56 157.36 16.51 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.609 -0.886 . . . . 50.0 108.609 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.254 1.307 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 175.086 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.102 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -106.26 164.8 11.72 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.54 -24.91 67.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.953 0.406 . . . . 50.0 110.181 172.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -31.27 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.08 0.77 . . . . 50.0 113.08 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -80.02 -23.82 41.2 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.312 0.577 . . . . 50.0 112.536 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.09 -20.76 59.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 122.275 1.036 . . . . 25.0 108.574 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.63 -56.36 17.92 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.266 1.209 . . . . 25.0 114.266 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -33.91 63.12 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.644 0.609 . . . . 50.0 112.644 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.268 0.627 . . . . 50.0 112.223 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.66 -38.12 67.73 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.883 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.02 -36.86 83.05 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 108.48 -0.934 . . . . 50.0 108.48 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.73 -39.12 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.676 -0.861 . . . . 50.0 108.676 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -46.58 77.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.403 0.149 . . . . 50.0 111.403 -178.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -83.29 -31.8 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 121.212 0.529 . . . . 50.0 112.215 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.14 -56.72 6.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.393 1.092 . . . . 50.0 111.162 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.83 -16.13 62.7 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.635 -1.62 . . . . 50.0 110.924 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.55 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -106.68 -1.96 22.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.093 1.146 . . . . 50.0 114.093 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p -66.76 161.44 23.61 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.65 62.78 Favored Glycine 0 N--CA 1.462 0.37 0 C-N-CA 120.978 -0.63 . . . . 25.0 113.823 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -68.8 -29.14 67.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.275 0.56 . . . . 50.0 111.408 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.91 0.13 27.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 50.0 110.906 -173.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.61 -25.99 5.24 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 118.194 2.037 . . . . 50.0 118.194 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -128.94 152.74 48.23 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.99 -28.51 68.32 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 113.955 -1.475 . . . . 25.0 114.455 -171.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -110.12 13.89 23.06 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.455 1.121 . . . . 50.0 110.368 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.35 162.91 29.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.787 -1.551 . . . . 50.0 107.814 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 ' H ' ' A' ' 29' ' ' SER . 2.8 tp -158.88 154.06 25.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' H ' HD11 ' A' ' 28' ' ' LEU . 81.5 p -79.32 149.67 31.68 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.09 -40.47 81.22 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.013 -0.43 . . . . 50.0 111.887 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -58.67 -38.45 78.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.275 0.843 . . . . 50.0 113.275 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.93 -40.13 79.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.31 -40.58 96.78 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.846 -0.615 . . . . 50.0 110.79 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.12 -38.39 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.011 0.434 . . . . 50.0 110.067 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.64 -44.83 40.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.166 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.72 -31.31 70.29 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.198 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.47 -41.98 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.884 -0.51 . . . . 50.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.06 -22.26 36.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.914 -0.714 . . . . 50.0 110.376 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.51 56.49 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.649 -0.25 . . . . 25.0 110.915 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.66 -45.01 8.27 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.739 1.015 . . . . 50.0 113.739 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 -63.33 1.32 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.829 -0.623 . . . . 50.0 111.365 -174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.8 t 46.09 29.81 0.85 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.199 1.555 . . . . 50.0 115.199 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.8 -55.19 0.09 OUTLIER Glycine 0 C--N 1.333 0.392 0 CA-C-O 121.555 0.531 . . . . 50.0 113.245 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 113.83 1.048 . . . . 50.0 113.83 -174.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -24.68 67.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.705 -1.134 . . . . 50.0 110.262 177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -100.13 -19.81 16.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.546 1.165 . . . . 25.0 109.018 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.66 -13.51 61.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -63.47 138.98 58.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.455 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -123.52 -24.7 4.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.892 0.477 . . . . 50.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -73.54 100.94 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 50.0 111.909 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.06 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 123.357 0.663 . . . . 50.0 112.195 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.95 -39.72 75.89 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.321 -0.951 . . . . 50.0 110.391 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -50.0 64.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.66 -35.61 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.544 -0.463 . . . . 50.0 110.147 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.41 -43.35 85.97 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.238 -0.585 . . . . 50.0 111.289 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.23 -34.85 49.02 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.23 -39.33 28.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.764 -0.198 . . . . 50.0 110.796 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.14 -36.45 77.47 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 118.612 -1.235 . . . . 50.0 110.52 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -26.57 61.25 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.072 -0.651 . . . . 50.0 110.901 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -48.51 62.78 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.727 -1.582 . . . . 50.0 106.727 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -32.43 73.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.641 -0.709 . . . . 50.0 111.097 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.35 -38.18 87.03 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.002 -0.436 . . . . 25.0 111.616 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.15 -29.12 25.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.154 0.502 . . . . 50.0 111.249 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.43 5.38 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.81 1.041 . . . . 50.0 113.81 -171.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.08 -32.67 67.39 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 114.474 0.55 . . . . 25.0 114.474 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -80.84 -2.96 49.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.46 -169.61 46.09 Favored Glycine 0 N--CA 1.434 -1.482 0 N-CA-C 109.311 -1.516 . . . . 50.0 109.311 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.81 145.28 50.29 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 113.396 -1.402 . . . . 50.0 112.007 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.9 -179.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.439 -0.8 . . . . 50.0 109.517 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.23 -174.08 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.24 -0.281 . . . . 50.0 110.24 -174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -57.23 -40.98 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -63.9 -40.23 96.02 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.289 -0.634 . . . . 50.0 109.289 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.7 -36.18 78.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 50.0 110.864 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -64.02 -41.23 97.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.782 -0.574 . . . . 50.0 110.638 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -25.94 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.1 t -73.85 -41.22 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.418 -0.956 . . . . 50.0 108.418 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.75 -34.9 78.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.47 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -78.59 -33.68 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 119.693 -0.803 . . . . 50.0 109.927 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -20.55 61.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.948 -0.47 . . . . 25.0 111.388 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.52 0.676 . . . . 25.0 109.325 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -69.77 -37.41 76.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.79 -45.48 74.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.751 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.51 -32.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 119.808 -0.757 . . . . 50.0 110.783 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.2 -27.51 64.55 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 120.156 -0.618 . . . . 25.0 109.72 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.42 -53.21 6.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.929 0.715 . . . . 50.0 112.929 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -101.44 -38.23 8.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 -169.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -19.52 62.34 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 109.0 -0.741 . . . . 75.0 109.0 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -40.95 -25.39 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.877 2.177 . . . . 50.0 116.877 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -78.06 11.22 2.38 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -16.72 49.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.695 0.798 . . . . 50.0 110.501 171.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.82 160.92 31.39 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.645 -0.707 . . . . 25.0 109.251 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.31 124.18 22.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.233 -1.765 . . . . 50.0 106.233 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.413 -172.237 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.3 0 N-CA-C 111.718 -0.553 . . . . 25.0 111.718 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -72.42 145.12 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 25.0 109.84 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.64 -37.63 88.05 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.0 -22.44 39.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 119.321 -0.951 . . . . 75.0 111.697 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 m -69.84 -22.36 63.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.22 -58.72 6.09 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.76 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 118.122 0.419 . . . . 50.0 111.843 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.28 -35.53 71.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.492 . . . . 50.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 49.3 p -72.16 -40.25 68.12 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 25.0 110.931 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -37.93 87.52 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.8 -41.01 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -46.46 72.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.783 0.29 . . . . 50.0 111.783 -177.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.27 -30.78 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.07 -54.47 25.34 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.755 1.264 . . . . 50.0 110.34 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -68.41 -28.9 67.49 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 113.245 -1.798 . . . . 50.0 110.363 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.37 78.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 120.506 -0.477 . . . . 25.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -101.87 -1.11 32.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.816 0.673 . . . . 50.0 112.816 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -67.1 166.03 14.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.87 -10.73 64.31 Favored Glycine 0 C--O 1.222 -0.643 0 C-N-CA 120.745 -0.74 . . . . 25.0 112.848 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -61.12 -35.19 76.37 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-O 121.73 0.776 . . . . 50.0 110.842 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -75.53 -25.79 57.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.425 -1.261 . . . . 50.0 112.064 -176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -24.86 5.45 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 110.45 -1.06 . . . . 50.0 110.45 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -126.57 159.57 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -8.08 43.63 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.455 1.28 . . . . 25.0 114.455 -174.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -100.64 -7.14 24.22 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 108.048 -1.093 . . . . 50.0 108.048 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -115.57 155.73 27.06 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.391 -1.731 . . . . 50.0 106.984 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -159.66 148.62 17.83 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.676 -1.972 . . . . 50.0 105.676 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 81.0 p -73.89 151.73 40.37 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.568 -0.453 . . . . 50.0 110.253 -176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -57.94 -44.6 87.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.378 -0.201 . . . . 50.0 110.983 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -55.39 -40.42 71.36 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.54 -39.21 91.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.619 0.723 . . . . 50.0 110.144 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.74 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.814 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -67.11 -32.87 74.31 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.923 -0.311 . . . . 50.0 110.287 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -75.79 -46.66 29.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.463 0.171 . . . . 25.0 111.463 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.69 -31.73 71.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.671 -0.643 . . . . 50.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.812 -0.555 . . . . 50.0 110.701 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.08 -22.45 42.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.817 -0.753 . . . . 50.0 110.799 -174.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -34.25 40.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.664 0.268 . . . . 25.0 111.089 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -94.56 -45.1 7.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.015 1.117 . . . . 50.0 114.015 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.918 -0.583 . . . . 50.0 110.327 -176.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t 44.38 39.05 2.84 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.725 1.009 . . . . 50.0 113.725 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 -46.19 0.06 OUTLIER Glycine 0 C--O 1.222 -0.633 0 CA-C-O 121.507 0.504 . . . . 50.0 112.78 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -16.0 62.79 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.836 -0.803 . . . . 50.0 112.909 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -23.42 66.91 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.433 -0.803 . . . . 50.0 109.82 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.36 -13.6 23.12 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 123.251 1.5 . . . . 25.0 108.85 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.99 -5.49 56.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.203 -1.362 . . . . 25.0 112.077 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.84 123.84 24.19 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.177 -0.327 . . . . 75.0 110.309 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -110.64 -24.34 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.492 -0.13 . . . . 50.0 110.909 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -85.66 85.85 7.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.617 -0.883 . . . . 50.0 108.617 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.85 -33.44 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.847 -0.615 . . . . 50.0 110.907 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.93 -44.36 96.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.356 0.598 . . . . 50.0 110.6 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.81 24.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.997 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.9 m -67.98 -24.79 30.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.44 -45.17 63.33 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.477 -1.305 . . . . 50.0 107.477 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.72 -30.44 69.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.317 -1.31 . . . . 25.0 112.126 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -81.8 -42.15 19.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.917 -0.583 . . . . 50.0 110.702 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.34 -36.03 80.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 120.889 -1.132 . . . . 50.0 110.672 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -76.47 -19.91 57.54 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.565 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.45 -48.77 30.96 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 104.843 -2.28 . . . . 50.0 104.843 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -32.87 73.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.501 -1.227 . . . . 50.0 111.155 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -39.13 90.26 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.506 -0.746 . . . . 25.0 112.756 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -84.86 -29.38 25.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.693 0.759 . . . . 50.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -99.92 6.06 45.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.264 -0.88 . . . . 50.0 111.687 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.24 63.97 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.324 -0.398 . . . . 25.0 113.901 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.13 0.29 32.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.87 -167.69 34.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.596 -1.802 . . . . 50.0 108.596 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.14 153.69 49.12 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.704 1.001 . . . . 50.0 113.704 -170.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -146.7 179.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.641 -1.163 . . . . 50.0 107.991 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.7 -174.9 3.25 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.605 -0.517 . . . . 50.0 109.605 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.29 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.786 0.662 . . . . 50.0 112.786 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -63.76 -40.74 97.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.629 -0.508 . . . . 50.0 109.629 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.47 -30.43 70.14 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.26 -0.275 . . . . 50.0 110.601 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -67.93 -41.33 82.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.828 -0.804 . . . . 50.0 108.828 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.91 -37.32 76.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.542 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.37 -39.63 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.72 -36.53 84.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 50.0 111.99 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.83 -30.12 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.649 -0.82 . . . . 50.0 109.49 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.89 -20.67 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.952 -0.467 . . . . 25.0 111.948 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.2 71.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 173.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.38 -35.54 61.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.25 -0.648 . . . . 50.0 109.25 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.8 m -66.8 -44.0 82.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.0 m -68.2 -33.15 59.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.077 -1.049 . . . . 50.0 110.227 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.82 63.84 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 122.053 -0.404 . . . . 25.0 110.285 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.1 t -86.32 -43.18 13.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.346 1.239 . . . . 50.0 114.346 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -115.81 -34.6 4.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.404 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -73.21 -16.04 61.43 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.213 -0.305 . . . . 75.0 111.307 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.44 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 5.9 p90 -50.34 -15.71 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.375 1.991 . . . . 50.0 116.375 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -79.32 10.85 3.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.996 0.518 . . . . 50.0 111.757 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.44 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -59.76 -20.69 58.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.987 0.423 . . . . 50.0 110.794 174.257 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.06 103.37 12.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 102.202 -3.259 . . . . 25.0 102.202 168.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.32 126.09 23.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.394 1.257 . . . . 50.0 114.394 -164.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.256 1.426 0 N-CA-C 105.343 -2.095 . . . . 25.0 105.343 179.263 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.416 0 N-CA-C 111.313 -0.715 . . . . 25.0 111.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -72.8 170.99 13.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.276 0.56 . . . . 25.0 109.559 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -40.17 74.95 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.159 0.504 . . . . 50.0 109.806 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -34.48 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.472 0.915 . . . . 50.0 113.472 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.21 -27.76 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.548 -0.72 . . . . 50.0 110.395 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -77.12 -22.18 53.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.04 61.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 ptp -61.06 -26.39 67.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.075 0.768 . . . . 50.0 113.075 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.75 -33.48 76.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.319 0.58 . . . . 50.0 110.586 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.5 p -73.99 -37.94 64.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.306 0.574 . . . . 25.0 111.353 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.15 -37.52 87.65 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.24 -39.19 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -47.21 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.968 0.168 . . . . 50.0 111.264 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.4 -30.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 112.489 0.551 . . . . 50.0 112.489 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -67.04 -59.57 3.36 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.211 1.005 . . . . 50.0 109.9 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.47 -17.56 64.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.273 -1.33 . . . . 50.0 110.658 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.64 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.237 -0.585 . . . . 25.0 109.53 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.57 -15.3 22.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.927 0.714 . . . . 50.0 112.927 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.2 m -61.8 159.21 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.53 -7.71 56.17 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.077 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -63.82 -36.04 82.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.399 0.619 . . . . 50.0 109.952 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.43 -28.18 61.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 50.0 111.999 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.54 -30.83 4.14 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.837 -0.905 . . . . 50.0 110.837 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.0 149.0 32.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 171.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -93.24 -8.13 43.15 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -93.34 -1.08 56.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.623 1.201 . . . . 50.0 107.763 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -126.92 156.8 40.91 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 113.357 -1.747 . . . . 50.0 108.719 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tp -153.51 148.28 26.41 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.333 -1.729 . . . . 50.0 106.333 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -73.49 151.91 40.88 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.689 -0.404 . . . . 50.0 110.547 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -58.69 -43.44 90.01 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 122.386 -0.196 . . . . 50.0 110.949 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -56.41 -39.52 73.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.313 0.857 . . . . 50.0 113.313 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.44 -39.92 85.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.309 0.576 . . . . 50.0 110.047 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.61 -39.05 92.53 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.09 -0.504 . . . . 50.0 110.278 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -63.62 -33.17 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.167 -0.213 . . . . 50.0 110.729 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -79.15 -46.84 17.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.48 0.178 . . . . 25.0 111.48 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.56 -30.04 68.73 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 121.816 -0.553 . . . . 50.0 110.606 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -45.62 89.27 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 121.774 -0.579 . . . . 50.0 110.159 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -78.12 -22.42 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.758 -0.588 . . . . 50.0 110.804 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -29.91 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.716 -0.22 . . . . 25.0 111.096 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -104.24 -45.24 4.75 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.389 1.626 . . . . 50.0 115.389 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -69.02 -57.66 5.14 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.796 -0.184 . . . . 50.0 111.058 -172.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m 42.29 26.3 0.06 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 118.732 2.864 . . . . 50.0 118.732 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.78 -57.72 0.09 OUTLIER Glycine 0 C--N 1.334 0.461 0 CA-C-O 122.915 1.286 . . . . 50.0 112.597 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.4 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.6 m-85 -75.4 -12.12 60.19 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.591 1.33 . . . . 50.0 114.591 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -24.9 67.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.336 -1.302 . . . . 50.0 109.196 175.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -91.84 -28.46 17.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 122.877 1.323 . . . . 25.0 108.235 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.84 -8.94 57.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.502 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -63.12 137.69 58.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.906 -0.405 . . . . 50.0 109.906 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -123.35 -27.08 4.16 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.12 -0.363 . . . . 50.0 110.908 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.69 92.82 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 50.0 110.131 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.66 -33.38 62.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.514 . . . . 50.0 111.556 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.57 -38.34 80.65 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.66 -0.816 . . . . 50.0 110.679 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.15 40.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.471 0.653 . . . . 25.0 109.453 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.77 -32.27 57.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.763 -0.653 . . . . 50.0 111.843 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.79 -45.85 80.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.037 0.446 . . . . 50.0 110.229 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -70.92 -29.72 65.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.481 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.86 -43.27 24.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.253 -0.431 . . . . 50.0 110.32 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.5 mmt -65.98 -41.33 91.29 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.396 -0.815 . . . . 50.0 110.43 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -70.31 -20.96 62.98 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.081 -0.648 . . . . 50.0 111.538 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -46.49 38.95 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.029 -2.211 . . . . 50.0 105.029 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -26.73 68.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.546 -1.206 . . . . 50.0 111.261 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.3 -38.38 81.58 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.127 -0.358 . . . . 25.0 111.35 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -86.78 -29.37 22.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.838 0.828 . . . . 50.0 111.998 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -107.93 7.63 28.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.839 -1.073 . . . . 50.0 113.278 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.3 65.23 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.508 -0.315 . . . . 25.0 113.875 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.1 4.96 27.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.936 0.347 . . . . 25.0 111.936 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.74 -172.38 34.64 Favored Glycine 0 N--CA 1.434 -1.434 0 N-CA-C 107.445 -2.262 . . . . 50.0 107.445 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.5 150.5 50.14 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.921 -1.14 . . . . 50.0 113.691 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -145.54 178.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.699 -1.137 . . . . 50.0 109.586 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.75 -174.14 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.449 0.299 . . . . 50.0 110.305 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.49 -38.78 75.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -68.22 -39.18 82.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.106 0.479 . . . . 50.0 109.774 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -31.87 71.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 50.0 110.287 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -69.12 -46.21 68.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.112 -0.993 . . . . 50.0 110.77 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -32.11 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 122.057 -0.402 . . . . 50.0 111.793 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.09 -27.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.461 -0.774 . . . . 50.0 110.38 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.58 -30.23 70.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.682 -0.488 . . . . 50.0 109.682 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.64 -34.76 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 118.885 -1.126 . . . . 50.0 109.525 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.71 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 110.123 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -72.82 -36.36 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -47.74 73.07 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.868 -0.605 . . . . 25.0 111.321 -177.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.77 -30.77 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.052 -0.659 . . . . 50.0 110.937 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.09 68.21 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -89.69 -53.73 4.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.401 1.096 . . . . 50.0 112.218 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.62 -50.18 9.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.006 -1.452 . . . . 25.0 114.585 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -17.55 61.43 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 122.522 0.329 . . . . 75.0 111.872 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -40.84 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.369 2.729 . . . . 50.0 118.369 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.24 9.61 4.44 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.377 -0.827 . . . . 50.0 112.323 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -18.03 47.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.563 0.745 . . . . 50.0 112.348 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.94 122.94 23.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.347 0.594 . . . . 25.0 110.656 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.55 114.57 26.56 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.407 -1.331 . . . . 50.0 107.407 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.314 -0.948 0 CA-C-N 114.8 -1.091 . . . . 25.0 113.649 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.311 0 N-CA-C 111.126 -0.79 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -82.05 144.23 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.956 0.408 . . . . 25.0 109.906 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.71 -40.1 95.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.83 71.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 50.0 112.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.29 -32.8 29.37 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.547 -0.72 . . . . 75.0 111.024 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -69.23 -21.89 63.9 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.18 62.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.177 -0.919 . . . . 25.0 112.616 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.2 ptp -62.85 -24.57 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.87 -32.35 73.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.242 0.544 . . . . 50.0 110.297 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -72.96 -37.25 67.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.851 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.25 -36.25 82.54 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.61 -39.68 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.01 72.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.012 0.195 . . . . 50.0 111.423 -177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.58 -29.58 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -58.15 4.89 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.816 0.817 . . . . 50.0 110.737 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -18.52 65.4 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.753 -1.112 . . . . 50.0 110.17 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.95 89.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.396 -0.522 . . . . 25.0 110.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.11 -12.29 18.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.321 0.86 . . . . 50.0 113.321 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -65.21 156.47 31.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.576 0.703 . . . . 25.0 111.954 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.01 -21.5 39.9 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -60.5 -30.0 69.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -109.67 41.71 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 124.885 2.279 . . . . 50.0 114.901 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.51 -31.04 7.1 Favored Glycine 0 C--N 1.289 -2.065 0 CA-C-N 112.534 -2.121 . . . . 50.0 115.656 167.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -136.44 155.0 50.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 173.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -85.28 -8.71 58.38 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -173.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.68 2.45 49.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.185 0.993 . . . . 50.0 108.774 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -127.1 155.93 42.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.849 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -157.24 152.97 26.79 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 105.414 -2.069 . . . . 50.0 105.414 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.494 -0.482 . . . . 50.0 111.449 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.3 -40.52 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 50.0 111.495 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -54.87 -41.5 70.9 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.823 0.675 . . . . 50.0 112.823 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.9 -37.86 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.421 0.629 . . . . 50.0 110.311 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.17 -37.71 88.29 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.74 -0.663 . . . . 50.0 109.953 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -64.31 -32.17 73.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.271 -0.268 . . . . 50.0 110.619 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.65 -46.47 19.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.77 -28.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.589 -0.694 . . . . 50.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.03 -44.53 92.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.782 -0.574 . . . . 50.0 109.587 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.66 -22.45 46.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.874 -0.73 . . . . 50.0 111.141 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -25.03 58.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.741 -0.384 . . . . 25.0 111.419 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.92 -45.02 3.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 115.007 1.484 . . . . 50.0 115.007 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.61 -64.94 0.89 Allowed 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.437 -0.505 . . . . 50.0 112.301 -172.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.9 m 34.91 35.85 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 117.494 2.405 . . . . 50.0 117.494 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.73 -58.04 0.09 OUTLIER Glycine 0 C--N 1.335 0.479 0 CA-C-O 122.407 1.004 . . . . 50.0 113.018 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -70.77 -23.73 62.46 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 113.808 1.04 . . . . 50.0 113.808 -173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -27.46 63.66 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.878 -1.056 . . . . 50.0 111.351 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.29 -20.2 23.2 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 123.327 1.537 . . . . 25.0 108.737 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.34 -1.85 58.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.693 -1.594 . . . . 25.0 111.509 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.57 142.44 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.297 -0.26 . . . . 75.0 110.297 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -120.73 -29.74 4.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.072 0.397 . . . . 50.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -77.33 92.78 3.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 50.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -34.49 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.354 . . . . 50.0 111.931 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.71 -38.52 76.97 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.263 -0.975 . . . . 50.0 110.08 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.24 -51.83 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.56 -34.81 72.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 50.0 111.045 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.02 -46.87 76.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.11 0.481 . . . . 50.0 110.419 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -73.45 -28.15 61.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.394 . . . . 25.0 111.949 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.71 -41.22 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.304 -0.258 . . . . 50.0 110.304 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.3 mmt -63.93 -42.35 97.39 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.304 -0.872 . . . . 50.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -73.05 -20.92 60.88 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 120.345 -0.542 . . . . 50.0 112.038 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.26 -47.93 46.43 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.308 -2.108 . . . . 50.0 105.308 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.53 -1.213 . . . . 50.0 111.067 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.02 -31.89 73.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.08 -30.4 19.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.755 0.788 . . . . 50.0 112.057 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -104.33 7.48 35.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.118 -0.946 . . . . 50.0 113.405 -171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.26 -32.53 72.25 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.29 3.77 34.02 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.09 -174.77 43.84 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 106.983 -2.447 . . . . 50.0 106.983 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -124.79 144.93 50.0 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 113.33 -1.435 . . . . 50.0 112.35 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.33 -179.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.911 . . . . 50.0 108.686 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -131.41 -174.17 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -56.93 -41.13 77.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.77 -41.77 97.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.899 -0.408 . . . . 50.0 109.899 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.73 -32.12 72.52 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.399 -0.521 . . . . 50.0 110.65 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.15 -42.14 84.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.629 0.728 . . . . 50.0 109.327 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 t -58.44 -39.67 75.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.701 -0.681 . . . . 50.0 112.097 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.31 -35.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -37.63 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 50.0 111.897 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.85 -30.51 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 119.55 -0.86 . . . . 50.0 109.122 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.44 -20.76 61.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.66 72.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.46 -35.91 68.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -67.65 -44.42 77.93 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.952 -0.567 . . . . 25.0 112.03 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.78 -33.74 63.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.677 -0.809 . . . . 50.0 109.633 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.79 66.05 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 122.067 -0.396 . . . . 25.0 110.329 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.85 -40.17 15.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.272 1.212 . . . . 50.0 114.272 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -109.38 -46.34 3.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -19.68 65.84 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 122.925 0.49 . . . . 75.0 112.311 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.5 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 2.9 p90 -47.23 -15.93 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 117.43 2.382 . . . . 50.0 117.43 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.77 9.56 3.4 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.015 -0.428 . . . . 50.0 111.898 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.5 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.39 -13.62 31.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.261 0.624 . . . . 50.0 112.013 174.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -116.48 160.67 20.25 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.272 0.629 . . . . 25.0 109.81 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -94.59 143.58 26.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.862 0.363 . . . . 50.0 110.729 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.252 1.202 0 CA-C-O 115.902 -1.999 . . . . 25.0 106.305 177.782 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.641 -0.584 . . . . 25.0 111.641 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -105.72 158.28 16.83 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 122.905 0.482 . . . . 25.0 110.547 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -28.0 69.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.25 -0.648 . . . . 50.0 109.25 170.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -29.46 69.64 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.151 0.796 . . . . 50.0 113.151 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -81.63 -22.45 37.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.563 0.697 . . . . 50.0 112.342 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -21.91 58.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.852 0.835 . . . . 25.0 109.229 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.03 -57.63 8.14 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.2 63.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.2 -33.58 72.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.966 0.507 . . . . 50.0 111.933 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 50.8 p -74.67 -38.13 62.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 25.0 111.081 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -37.15 85.56 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -61.38 -40.99 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.71 73.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.457 0.169 . . . . 50.0 111.457 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 ' HH ' ' A' ' 74' ' ' TYR . 32.6 m -84.98 -29.64 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.4 -56.21 9.27 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.536 1.16 . . . . 50.0 111.298 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -70.83 -17.14 62.76 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.034 -1.439 . . . . 50.0 111.02 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.87 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 176.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -107.44 -5.09 17.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.332 1.604 . . . . 50.0 115.332 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 158.99 12.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.898 0.772 . . . . 25.0 112.581 -176.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.34 45.81 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.774 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -74.27 -29.34 61.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.329 -0.513 . . . . 50.0 111.953 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.92 35.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.7 -30.98 4.07 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-O 118.956 -0.913 . . . . 50.0 114.782 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -97.29 157.6 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.942 1.371 . . . . 25.0 112.134 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HE2' ' CE2' ' A' ' 26' ' ' TYR . 29.3 mtmm -68.42 -26.18 65.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 126.267 1.827 . . . . 25.0 113.572 -173.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 30.2 m-85 -109.5 9.62 25.33 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 122.194 0.997 . . . . 50.0 110.582 -174.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -124.42 152.5 43.17 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.929 -1.487 . . . . 50.0 111.177 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' H ' ' A' ' 29' ' ' SER . 2.0 tp -146.46 169.49 18.8 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 105.619 -1.993 . . . . 50.0 105.619 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 62.0 p -97.99 157.03 16.35 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.31 -0.626 . . . . 50.0 109.31 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -58.24 -49.07 78.4 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.141 -0.223 . . . . 50.0 111.385 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -54.47 -36.72 64.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.544 1.312 . . . . 50.0 114.544 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.26 -39.03 89.18 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.642 -0.423 . . . . 50.0 111.016 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.01 -39.84 95.01 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 120.917 0.389 . . . . 50.0 111.496 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -59.49 -38.06 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.009 -0.541 . . . . 50.0 109.78 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -46.5 13.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -175.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.06 -36.36 83.74 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.522 -0.471 . . . . 50.0 109.958 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.01 -46.15 82.59 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.792 -0.567 . . . . 50.0 110.601 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -73.85 -24.55 59.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.455 -0.898 . . . . 50.0 109.854 -171.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -28.57 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.049 0.218 . . . . 25.0 110.844 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.79 -37.07 12.53 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.42 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.611 -0.722 . . . . 50.0 112.777 -172.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.6 m 44.99 29.52 0.48 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.319 1.6 . . . . 50.0 115.319 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.37 -56.05 0.08 OUTLIER Glycine 0 C--O 1.226 -0.361 0 CA-C-O 122.076 0.82 . . . . 50.0 113.44 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -21.32 64.69 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -26.58 66.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.096 -0.956 . . . . 50.0 109.638 177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.43 -27.52 18.25 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.814 1.292 . . . . 25.0 108.905 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.18 62.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.286 -1.324 . . . . 25.0 112.449 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -63.56 141.37 58.79 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 122.607 0.363 . . . . 50.0 111.508 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -126.87 -25.92 3.26 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.201 0.815 . . . . 50.0 113.201 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -74.61 93.47 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 50.0 110.316 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.3 -34.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.403 -0.362 . . . . 50.0 111.626 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.68 -38.03 83.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.33 -0.548 . . . . 50.0 110.156 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.8 -52.35 21.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.776 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.73 -34.44 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.772 0.32 . . . . 50.0 110.911 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.78 -46.52 84.87 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 110.155 -0.313 . . . . 50.0 110.155 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -36.42 64.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -174.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.62 -42.16 62.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.507 -0.315 . . . . 50.0 110.83 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -66.72 -42.73 85.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.004 -1.079 . . . . 50.0 110.723 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -70.61 -26.4 63.48 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.906 -0.718 . . . . 50.0 111.819 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.65 -49.01 62.47 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 106.08 -1.822 . . . . 50.0 106.08 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -34.65 78.86 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.625 . . . . 50.0 111.088 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.71 -37.77 85.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -81.41 -32.42 32.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.692 0.758 . . . . 50.0 110.094 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -104.43 10.18 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.071 0.767 . . . . 50.0 113.071 -171.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.45 -32.49 57.91 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 115.825 1.09 . . . . 25.0 115.825 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -81.08 3.57 22.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.25 0.525 . . . . 25.0 111.442 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.23 -163.54 36.07 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 108.375 -1.89 . . . . 50.0 108.375 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.4 pt-20 -133.95 160.7 36.89 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.914 -0.643 . . . . 50.0 112.623 -171.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 m -147.96 166.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.302 -1.317 . . . . 50.0 110.719 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.69 -174.13 2.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.928 -1.138 . . . . 50.0 107.928 173.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.78 -38.94 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.869 0.692 . . . . 50.0 112.869 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -66.91 -38.29 85.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.708 -0.478 . . . . 50.0 109.708 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -37.04 86.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.257 0.551 . . . . 50.0 110.362 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' HH ' HG22 ' A' ' 14' ' ' VAL . 16.2 t80 -67.04 -43.07 83.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.099 -0.376 . . . . 50.0 110.586 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -29.95 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 120.825 -0.35 . . . . 50.0 111.495 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.61 -40.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.34 -35.16 79.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.906 -0.588 . . . . 50.0 112.041 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -75.46 -34.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.34 -0.944 . . . . 50.0 108.688 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.18 -20.8 63.1 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.911 -0.493 . . . . 25.0 111.624 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.93 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.2 -38.33 69.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -66.41 -47.11 74.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.726 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -67.53 -34.07 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.398 -0.521 . . . . 50.0 109.711 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.01 65.49 Favored 'General case' 0 C--O 1.204 -1.305 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.36 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.9 -54.44 5.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.3 -51.34 4.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.92 -168.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -71.66 -16.21 62.25 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.559 -0.746 . . . . 75.0 111.892 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 77.1 t80 -40.66 -23.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 118.314 2.709 . . . . 50.0 118.314 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.15 12.32 6.68 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.36 0.664 . . . . 50.0 112.383 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.402 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -56.13 -20.26 16.81 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.475 1.11 . . . . 50.0 113.116 175.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.77 163.95 26.18 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.79 77.84 9.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 124.494 2.092 . . . . 50.0 106.038 168.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 109.402 -3.544 . . . . 25.0 108.975 -175.469 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.216 0 N-CA-C 108.857 -1.697 . . . . 25.0 108.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -63.06 144.19 57.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.31 -43.54 92.63 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.788 -0.57 . . . . 50.0 110.649 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.63 -26.98 67.34 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.368 0.507 . . . . 50.0 112.368 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -28.92 31.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.894 -0.504 . . . . 75.0 111.899 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -72.32 -20.74 61.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.62 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.39 69.3 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.093 0.405 . . . . 50.0 112.093 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.91 70.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.042 0.448 . . . . 50.0 111.108 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -74.58 -39.68 62.1 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.896 -0.503 . . . . 25.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -36.87 84.26 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.45 -41.29 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.85 77.15 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.391 0.432 . . . . 50.0 111.305 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.26 -29.84 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.072 0.768 . . . . 50.0 113.072 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.15 -58.7 4.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.402 1.096 . . . . 50.0 110.568 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -71.83 -15.7 62.14 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.992 -1.458 . . . . 50.0 111.841 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.4 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.384 -0.526 . . . . 25.0 109.851 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -121.1 9.06 10.44 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.49 1.293 . . . . 50.0 114.49 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 95.6 p -74.52 171.63 13.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.288 0.566 . . . . 25.0 111.596 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.38 67.93 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.719 -0.753 . . . . 25.0 112.593 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.43 -35.33 80.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.835 0.826 . . . . 50.0 110.637 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.37 -24.34 57.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.064 -1.426 . . . . 50.0 111.337 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.78 -28.26 4.71 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.097 -0.801 . . . . 50.0 111.097 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -119.82 154.15 34.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.603 0.716 . . . . 25.0 112.3 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.63 42.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -100.23 5.37 44.67 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 122.03 0.919 . . . . 50.0 109.299 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -126.83 155.63 42.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.854 -1.521 . . . . 50.0 108.15 -175.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -159.16 143.65 15.48 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.4 p -72.77 149.89 43.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.816 -0.439 . . . . 50.0 109.816 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -55.74 -41.8 74.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.614 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -59.42 -39.09 82.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -67.1 -38.01 84.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.323 0.582 . . . . 50.0 109.485 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.97 -39.88 95.13 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.691 -0.686 . . . . 50.0 110.663 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.23 -39.65 87.43 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.224 0.535 . . . . 50.0 110.255 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -45.82 36.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.736 -0.666 . . . . 25.0 112.752 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.93 -32.71 73.35 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.197 -0.601 . . . . 50.0 110.522 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.32 -43.28 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.894 -0.503 . . . . 50.0 110.344 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.58 -22.57 43.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.853 -0.739 . . . . 50.0 111.004 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -30.92 58.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.807 0.337 . . . . 25.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.98 -45.22 6.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -66.98 0.79 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.751 -0.658 . . . . 50.0 111.13 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.8 p 38.52 41.05 0.43 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.176 1.176 . . . . 50.0 114.176 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.03 -48.85 0.05 OUTLIER Glycine 0 C--O 1.223 -0.566 0 CA-C-O 122.137 0.854 . . . . 50.0 112.6 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -17.95 63.36 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -176.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -24.55 67.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.932 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -91.65 -18.85 23.37 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 123.14 1.448 . . . . 25.0 109.206 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.57 -9.6 57.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.041 -1.436 . . . . 25.0 112.431 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -71.81 128.3 35.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.977 -0.379 . . . . 75.0 109.977 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -115.89 -25.33 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.995 0.368 . . . . 50.0 111.995 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -79.07 93.23 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 50.0 110.044 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.24 -34.72 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.306 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.25 -37.48 85.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.229 0.538 . . . . 50.0 110.34 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.67 13.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.593 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.62 -32.55 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.097 -0.501 . . . . 50.0 111.813 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.91 -48.95 79.46 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -35.74 72.44 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.66 -174.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.58 -43.45 62.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.62 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.74 -40.88 92.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.284 -0.885 . . . . 50.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.04 -27.46 62.72 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.085 -0.646 . . . . 50.0 111.266 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -47.92 71.11 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 106.056 -1.831 . . . . 50.0 106.056 177.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -31.79 73.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.823 -0.626 . . . . 50.0 111.575 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.7 73.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.831 -0.543 . . . . 25.0 111.389 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.8 -32.28 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.537 0.684 . . . . 50.0 110.597 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.17 6.45 33.06 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.1 -32.57 67.33 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 114.32 0.488 . . . . 25.0 114.32 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.51 -0.87 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.93 -162.29 37.87 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 109.712 -1.355 . . . . 50.0 109.712 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.36 146.29 52.21 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -172.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.54 179.07 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.507 -0.769 . . . . 50.0 109.184 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -128.47 -174.08 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.162 -0.336 . . . . 50.0 110.232 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.52 -40.49 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.249 0.462 . . . . 50.0 112.249 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -64.88 -39.09 93.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.26 -0.274 . . . . 50.0 110.26 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -31.08 67.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.297 -0.561 . . . . 50.0 110.733 176.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -66.84 -40.11 87.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 50.0 108.073 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -57.42 -37.42 57.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.258 -0.883 . . . . 50.0 112.038 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -71.14 -39.73 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -65.07 -35.66 81.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.07 -0.514 . . . . 50.0 111.908 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.35 -31.61 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 119.643 -0.823 . . . . 50.0 109.338 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.66 61.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.13 -0.356 . . . . 25.0 111.682 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -73.37 -36.69 66.13 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.078 -0.712 . . . . 50.0 109.078 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.2 m -67.11 -45.86 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.788 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.48 -32.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.935 -0.706 . . . . 50.0 110.162 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.46 -24.95 61.27 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 122.069 -0.395 . . . . 25.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.7 t -85.82 -51.52 6.35 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.971 0.73 . . . . 50.0 112.971 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.05 -37.72 6.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -19.46 62.45 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.782 -0.574 . . . . 75.0 109.733 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.85 -23.65 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 117.167 2.284 . . . . 50.0 117.167 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.87 11.09 3.5 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 123.37 0.668 . . . . 50.0 112.651 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -12.68 11.43 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.124 0.97 . . . . 50.0 111.971 173.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.79 160.71 29.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.51 120.79 14.53 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.371 -0.932 . . . . 50.0 109.304 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.246 0.908 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.442 -178.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 CA-C-O 119.745 -0.475 . . . . 25.0 112.307 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -105.76 163.41 12.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.378 0.671 . . . . 25.0 109.873 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.0 -24.24 67.64 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.779 -0.576 . . . . 50.0 110.081 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -29.97 70.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.554 0.576 . . . . 50.0 112.554 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.44 -26.84 34.99 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 118.217 0.462 . . . . 50.0 111.565 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.83 -21.25 60.98 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 123.395 1.569 . . . . 25.0 109.007 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -56.9 14.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.225 -0.922 . . . . 25.0 112.375 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.44 -27.68 64.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.631 0.975 . . . . 50.0 113.631 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -32.69 74.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.015 0.436 . . . . 50.0 110.595 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -74.06 -38.25 64.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.186 0.517 . . . . 25.0 111.084 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.89 -38.1 89.83 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 108.512 -0.921 . . . . 50.0 108.512 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.28 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.18 75.09 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 111.414 0.153 . . . . 50.0 111.414 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' HH ' ' A' ' 74' ' ' TYR . 32.6 m -84.16 -31.98 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.099 0.476 . . . . 50.0 112.278 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -67.58 -57.44 6.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.961 1.362 . . . . 50.0 110.922 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.71 -14.16 61.5 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.85 -1.977 . . . . 50.0 110.945 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.63 -38.19 73.86 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.23 -5.71 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.299 0.852 . . . . 50.0 113.299 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -64.52 160.77 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -171.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.94 55.16 Favored Glycine 0 C--O 1.219 -0.797 0 CA-C-N 115.307 -0.861 . . . . 25.0 113.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -70.33 -30.42 67.38 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.498 -0.413 . . . . 50.0 111.858 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -21.64 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.902 -1.147 . . . . 50.0 107.902 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.98 4.08 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-O 118.974 -0.903 . . . . 50.0 114.694 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.35 155.71 18.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.757 1.279 . . . . 25.0 110.907 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -13.11 47.94 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -105.48 9.52 33.52 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.221 1.01 . . . . 50.0 108.824 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -133.49 169.7 16.59 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 113.529 -1.669 . . . . 50.0 107.298 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mt -157.25 169.48 24.65 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.445 -1.687 . . . . 50.0 106.445 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 52.0 p -88.85 157.35 18.48 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.964 -1.124 . . . . 50.0 107.964 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -57.52 -49.61 75.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.832 0.348 . . . . 50.0 111.371 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -54.74 -35.57 63.88 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 115.034 1.494 . . . . 50.0 115.034 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.62 -38.18 90.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.052 0.453 . . . . 50.0 111.039 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.77 -38.74 92.24 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.833 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -63.34 -35.45 80.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.141 -0.223 . . . . 50.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -81.15 -41.37 22.53 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.432 -0.507 . . . . 25.0 111.808 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.64 -31.2 68.05 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.582 -0.699 . . . . 50.0 110.367 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -43.8 97.39 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.718 -0.614 . . . . 50.0 110.139 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -78.73 -22.43 46.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.982 -0.687 . . . . 50.0 111.357 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -28.25 29.5 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -99.08 -44.15 6.4 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD21 ' H ' ' A' ' 44' ' ' PHE . 1.1 tt -81.0 -60.29 2.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.342 -174.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m 46.3 28.79 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.816 2.154 . . . . 50.0 116.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.59 -55.12 0.07 OUTLIER Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.948 0.749 . . . . 50.0 113.687 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.48 ' H ' HD21 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -71.24 -14.21 62.16 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.55 0.945 . . . . 50.0 113.55 -175.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -24.39 67.03 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.097 -0.956 . . . . 50.0 109.277 176.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.21 -23.32 18.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.981 1.372 . . . . 25.0 109.014 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 5.49 13.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.122 -1.399 . . . . 25.0 112.977 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.44 HE21 HD21 ' A' ' 81' ' ' LEU . 35.1 mt-30 -79.72 119.24 22.37 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.935 -0.478 . . . . 50.0 110.388 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -102.46 -24.28 13.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.029 -0.419 . . . . 50.0 111.138 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -84.54 83.29 8.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.05 -35.07 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.995 -0.548 . . . . 50.0 110.149 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.16 -31.92 73.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.257 0.551 . . . . 50.0 111.097 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -59.48 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.402 0.62 . . . . 25.0 109.982 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -64.29 -32.0 55.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.95 -46.55 87.21 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.388 -0.597 . . . . 50.0 109.388 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -24.41 63.54 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.476 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.29 -43.46 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.892 -0.595 . . . . 50.0 110.305 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.86 -38.03 87.72 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.975 -0.69 . . . . 50.0 109.447 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -25.86 62.11 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.405 -0.518 . . . . 50.0 111.635 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.55 -47.15 50.53 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 105.679 -1.971 . . . . 50.0 105.679 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.08 -33.72 76.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.118 -0.947 . . . . 50.0 110.204 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.86 -37.78 82.28 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -89.15 -14.16 36.77 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.062 -0.399 . . . . 50.0 111.623 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -114.59 10.24 16.74 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.326 0.584 . . . . 50.0 112.081 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.07 -29.73 56.26 Favored Glycine 0 C--N 1.318 -0.432 0 N-CA-C 115.981 1.152 . . . . 25.0 115.981 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.94 4.12 20.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.432 0.616 . . . . 25.0 111.338 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -159.47 27.38 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 108.934 -1.666 . . . . 50.0 108.934 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.8 pt-20 -136.77 156.7 48.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.021 0.439 . . . . 50.0 112.159 -172.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.58 173.45 9.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 114.413 -1.267 . . . . 50.0 110.959 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -176.75 4.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.548 -1.279 . . . . 50.0 107.548 173.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.35 -41.67 85.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.702 0.631 . . . . 50.0 112.702 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.82 -38.23 88.35 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.885 -0.413 . . . . 50.0 109.885 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.222 -0.924 . . . . 50.0 110.474 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' HH ' HG23 ' A' ' 14' ' ' VAL . 14.3 t80 -67.05 -42.2 85.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.683 0.754 . . . . 50.0 109.297 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.85 -37.98 49.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.581 -0.736 . . . . 50.0 112.349 176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.82 -0.808 . . . . 50.0 108.82 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.67 -35.65 80.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.725 -0.671 . . . . 50.0 112.07 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.56 -35.25 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.207 -0.997 . . . . 50.0 108.564 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.19 -20.71 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.841 -0.537 . . . . 25.0 111.823 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.31 73.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.398 0.618 . . . . 25.0 109.417 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD21 HE21 ' A' ' 48' ' ' GLN . 36.1 mt -72.54 -35.97 68.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -42.15 76.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -68.97 -34.65 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 119.471 -0.892 . . . . 50.0 109.938 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.21 -28.99 66.86 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.5 t -82.73 -47.54 11.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.778 1.029 . . . . 50.0 113.778 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.31 -41.1 4.73 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -168.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -19.49 63.6 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 123.174 0.59 . . . . 75.0 111.488 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -41.18 -21.26 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 118.07 2.618 . . . . 50.0 118.07 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.13 10.84 4.74 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.741 -0.599 . . . . 50.0 112.49 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -18.41 36.86 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.497 0.719 . . . . 50.0 110.823 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.49 155.63 16.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.925 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.26 77.78 9.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.622 1.677 . . . . 50.0 109.373 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 112.121 -2.308 . . . . 25.0 112.764 179.157 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 110.529 -1.029 . . . . 25.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -75.67 145.43 40.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.268 0.556 . . . . 25.0 111.394 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.01 -39.71 94.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.561 -0.533 . . . . 50.0 109.561 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -28.14 67.87 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 50.0 112.08 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -82.17 -31.13 30.6 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.14 -0.35 . . . . 75.0 111.224 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -68.84 -22.1 64.24 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.96 -56.55 16.82 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.13 -24.92 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.216 0.821 . . . . 50.0 113.216 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.45 -33.78 76.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 50.0 109.866 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 69.5 p -73.22 -39.64 65.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.991 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -37.87 89.02 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 108.717 -0.846 . . . . 50.0 108.717 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.07 -40.14 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.452 -0.573 . . . . 50.0 109.452 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -46.31 76.66 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.97 0.169 . . . . 50.0 111.229 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.78 -30.09 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 112.864 0.69 . . . . 50.0 112.864 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.34 -57.83 6.63 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.606 1.193 . . . . 50.0 110.111 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -69.42 -20.28 63.79 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.461 -1.7 . . . . 50.0 110.995 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.45 91.15 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.996 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -101.78 -0.44 34.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.416 0.524 . . . . 50.0 112.416 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -73.26 159.84 32.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.659 1.355 . . . . 25.0 114.659 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -4.95 56.2 Favored Glycine 0 C--O 1.221 -0.707 0 CA-C-N 115.141 -0.936 . . . . 25.0 112.71 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -66.62 -24.13 66.27 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.59 -0.359 . . . . 50.0 110.276 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.02 -26.17 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.72 -0.673 . . . . 50.0 111.032 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.49 -30.78 4.16 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.577 -0.609 . . . . 50.0 111.577 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.99 153.09 32.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 173.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -93.07 -9.59 39.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -94.17 2.93 55.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.56 1.172 . . . . 50.0 109.297 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.81 158.39 42.61 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 113.207 -1.815 . . . . 50.0 108.367 -171.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.53 150.14 21.1 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.781 -1.192 . . . . 50.0 107.781 172.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.05 148.68 47.3 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -52.35 -43.29 64.56 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.029 0.381 . . . . 50.0 112.029 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -56.77 -39.16 73.54 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.23 0.826 . . . . 50.0 113.23 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -65.79 -38.08 88.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 50.0 110.198 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.55 -36.82 83.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.784 . . . . 50.0 110.894 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -66.48 -33.23 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.254 -0.279 . . . . 50.0 110.681 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.97 -42.8 31.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.63 -30.79 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.804 -0.758 . . . . 50.0 109.594 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -43.88 95.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.727 -0.608 . . . . 50.0 110.232 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.7 -22.41 46.7 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.452 -0.78 . . . . 50.0 110.943 -175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -30.21 40.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 121.054 -0.258 . . . . 25.0 111.109 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.52 -45.1 6.22 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.94 1.089 . . . . 50.0 113.94 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -65.86 0.96 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.455 -0.339 . . . . 50.0 110.286 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.36 35.4 2.74 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.617 1.34 . . . . 50.0 114.617 -176.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.44 -30.77 0.12 Allowed Glycine 0 C--O 1.217 -0.942 0 N-CA-C 115.856 1.102 . . . . 50.0 115.856 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -96.05 -23.74 16.66 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 121.589 -0.948 . . . . 50.0 112.102 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -24.21 66.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.996 -1.002 . . . . 50.0 111.492 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.69 -16.91 13.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.526 0.679 . . . . 25.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.98 6.68 12.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.523 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.11 126.85 30.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 75.0 109.828 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -100.28 -28.52 12.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.306 0.242 . . . . 50.0 111.153 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -72.66 96.86 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.359 0.599 . . . . 50.0 110.688 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.23 -33.54 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.926 . . . . 50.0 111.859 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.62 -40.76 76.4 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.473 -0.767 . . . . 50.0 109.812 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.0 70.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.578 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.01 -35.95 76.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.508 -0.477 . . . . 50.0 110.38 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.31 -34.22 70.4 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 119.606 -0.838 . . . . 50.0 112.901 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -83.59 -39.29 20.51 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.428 -0.17 . . . . 25.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.28 -36.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.161 1.171 . . . . 50.0 114.161 -174.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.15 -37.11 80.68 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 117.437 -1.705 . . . . 50.0 108.531 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -73.06 -25.77 61.03 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.965 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.5 -48.92 65.67 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 105.512 -2.033 . . . . 50.0 105.512 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -34.47 77.89 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.224 -0.898 . . . . 50.0 111.181 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -68.15 -35.47 78.13 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.871 -0.518 . . . . 25.0 112.34 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.18 -31.68 24.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.442 0.639 . . . . 50.0 110.248 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -104.03 9.59 36.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.942 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.36 -30.42 64.65 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-N 116.182 -0.463 . . . . 25.0 113.19 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.37 -0.11 35.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.9 -158.92 33.8 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 109.867 -1.293 . . . . 50.0 109.867 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.36 147.77 52.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.86 174.42 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.129 -0.693 . . . . 50.0 109.129 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.27 -174.1 2.97 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.995 -0.441 . . . . 50.0 110.379 -175.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -57.93 -42.11 84.18 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 111.941 0.349 . . . . 50.0 111.941 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.93 -41.42 97.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.43 -27.73 65.52 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.981 -0.288 . . . . 50.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.61 -41.19 84.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.087 -0.708 . . . . 50.0 109.087 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.03 -34.91 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.167 -0.47 . . . . 50.0 109.911 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.82 -40.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.36 -36.44 82.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.089 -0.505 . . . . 50.0 112.231 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.19 -32.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.349 -0.94 . . . . 50.0 108.744 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.54 -20.68 60.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.47 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.75 -36.42 67.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -65.98 -47.85 73.2 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 111.929 0.344 . . . . 25.0 111.929 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.91 -34.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.19 -0.604 . . . . 50.0 109.628 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -30.26 61.01 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.749 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -84.48 -42.77 15.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.959 1.096 . . . . 50.0 113.959 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.46 -52.42 2.77 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -67.82 -16.18 63.98 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 113.296 0.851 . . . . 75.0 113.296 -175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.553 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.0 p90 -46.69 -15.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 117.155 2.28 . . . . 50.0 117.155 177.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.23 9.41 3.14 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.658 0.783 . . . . 50.0 111.076 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.553 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.41 -14.4 18.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.908 0.883 . . . . 50.0 113.369 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.56 103.21 6.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -94.77 135.79 35.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.92 0.391 . . . . 50.0 110.121 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.8 p . . . . . 0 C--O 1.255 1.375 0 CA-C-O 117.001 -1.475 . . . . 25.0 110.992 178.624 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.101 0 CA-C-O 118.853 -0.97 . . . . 25.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -105.74 153.82 21.34 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 117.134 0.467 . . . . 25.0 110.817 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.92 -25.6 68.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.162 0.506 . . . . 50.0 110.412 172.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.05 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 50.0 111.792 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.93 -31.13 31.48 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.623 -0.673 . . . . 50.0 111.625 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -22.29 65.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.37 -54.44 40.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.323 -0.853 . . . . 25.0 113.091 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ptp -60.78 -27.32 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.581 0.585 . . . . 50.0 112.581 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -33.01 74.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.762 0.791 . . . . 50.0 110.733 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.3 p -73.69 -38.43 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.49 . . . . 25.0 111.189 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.03 -36.62 83.74 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.65 -38.45 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.894 -0.78 . . . . 50.0 108.894 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.68 74.84 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 111.584 0.216 . . . . 50.0 111.584 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.35 -31.6 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.588 0.588 . . . . 50.0 112.588 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -66.65 -55.33 15.73 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.496 1.141 . . . . 50.0 110.821 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -73.38 -14.46 61.28 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.608 -1.633 . . . . 50.0 110.835 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.31 -39.25 78.38 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -94.64 -10.26 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.813 0.672 . . . . 50.0 112.813 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -62.1 149.5 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -170.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.22 -3.57 51.28 Favored Glycine 0 C--O 1.222 -0.647 0 CA-C-N 114.89 -1.05 . . . . 25.0 113.166 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.48 -25.06 65.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 109.285 -0.635 . . . . 50.0 109.285 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.8 -28.15 28.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.772 -0.649 . . . . 50.0 110.08 174.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.78 4.39 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.797 -0.638 . . . . 50.0 113.642 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.0 154.17 22.04 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.927 0.864 . . . . 25.0 112.339 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.31 -23.02 61.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -173.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -114.49 15.88 17.77 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.997 0.427 . . . . 50.0 111.496 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -132.35 150.73 52.1 Favored 'General case' 0 CA--C 1.488 -1.433 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 -173.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -154.45 148.17 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 108.029 -1.1 . . . . 50.0 108.029 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 p -70.66 150.19 46.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -52.89 -42.42 65.3 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.6 0.593 . . . . 50.0 112.6 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.19 -39.44 75.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.776 0.658 . . . . 50.0 112.776 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -63.61 -38.79 92.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.406 0.622 . . . . 50.0 110.489 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -37.84 84.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.954 -0.566 . . . . 50.0 110.506 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.74 -32.36 73.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.88 -0.415 . . . . 50.0 109.88 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.65 -47.38 26.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.424 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.49 -30.72 67.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.714 -0.616 . . . . 50.0 111.383 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.53 -42.03 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.775 -0.578 . . . . 50.0 110.394 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -80.32 -22.58 41.37 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.735 -0.603 . . . . 50.0 110.078 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -33.39 49.74 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.297 0.373 . . . . 25.0 111.924 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -95.19 -45.12 7.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -60.16 2.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.687 -172.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.54 25.06 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.649 1.722 . . . . 50.0 115.649 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.2 -55.81 0.1 Allowed Glycine 0 C--O 1.228 -0.246 0 CA-C-O 121.688 0.604 . . . . 50.0 112.889 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -20.09 63.13 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.167 1.173 . . . . 50.0 114.167 -174.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -26.05 67.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.001 -1.0 . . . . 50.0 109.808 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.53 -21.41 15.93 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.591 1.186 . . . . 25.0 109.251 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.46 -12.11 61.36 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.625 -1.17 . . . . 25.0 111.53 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.96 140.25 58.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.686 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -123.97 -23.24 4.66 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.529 0.566 . . . . 50.0 112.529 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -73.32 95.06 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 50.0 110.467 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.28 -34.56 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 50.0 111.913 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.3 -40.95 81.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.838 -1.145 . . . . 50.0 109.942 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.65 65.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.271 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.48 -33.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.375 -0.53 . . . . 50.0 110.18 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.96 -38.68 66.66 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.501 -0.48 . . . . 50.0 110.362 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -38.21 64.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.72 -39.9 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.101 -0.5 . . . . 50.0 111.681 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.7 mmt -65.89 -40.21 91.35 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.823 -1.151 . . . . 50.0 109.201 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -70.82 -22.23 62.36 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.581 -0.447 . . . . 50.0 112.038 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -74.79 -49.5 20.6 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 105.949 -1.871 . . . . 50.0 105.949 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -34.74 77.08 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.932 -1.031 . . . . 50.0 111.055 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.74 -33.68 76.17 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.36 -31.71 21.36 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.924 0.868 . . . . 50.0 111.624 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -101.94 9.42 40.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.841 -1.072 . . . . 50.0 112.659 -171.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.2 -32.41 67.44 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -85.47 6.81 25.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.882 0.341 . . . . 25.0 111.879 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.29 -158.42 31.25 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.565 -1.814 . . . . 50.0 108.565 174.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.93 143.4 44.91 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.39 175.12 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.879 -0.601 . . . . 50.0 110.984 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.18 -174.1 3.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.228 -0.295 . . . . 50.0 110.498 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.31 -40.09 77.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.717 0.636 . . . . 50.0 112.717 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.49 -40.7 96.17 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.54 -0.541 . . . . 50.0 109.54 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -33.36 72.99 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.945 -0.702 . . . . 50.0 110.449 175.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.72 -43.88 87.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.441 -0.787 . . . . 50.0 110.536 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -29.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 122.085 -0.385 . . . . 50.0 111.061 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.4 t -74.66 -36.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.691 -0.855 . . . . 50.0 108.691 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.23 -35.18 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.302 -0.249 . . . . 50.0 111.521 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.57 -33.85 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.359 -0.936 . . . . 50.0 108.879 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -20.8 62.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.076 -0.39 . . . . 25.0 111.49 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.45 74.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -38.21 69.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.677 -0.86 . . . . 50.0 108.677 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -43.45 80.33 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.285 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.5 m -71.93 -30.45 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.662 -1.215 . . . . 50.0 111.093 -176.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.06 60.78 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.75 -54.55 5.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.625 0.972 . . . . 50.0 113.625 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -44.24 4.22 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -168.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -65.81 -20.96 66.44 Favored 'General case' 0 C--O 1.192 -1.958 0 CA-C-O 118.939 -0.553 . . . . 75.0 110.124 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.444 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 64.0 t80 -42.33 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.416 2.747 . . . . 50.0 118.416 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -86.33 11.2 12.78 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.146 0.978 . . . . 50.0 110.782 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.444 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -55.6 -2.81 0.05 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.024 2.129 . . . . 50.0 115.872 -178.083 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -54.02 119.6 5.28 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -73.63 130.42 39.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.424 -0.807 . . . . 50.0 112.329 -165.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -176.665 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.484 0 N-CA-C 112.806 -0.118 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -87.78 144.26 26.71 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.3 -28.34 68.62 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.375 -0.828 . . . . 50.0 110.304 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -28.46 69.03 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.214 0.449 . . . . 50.0 112.214 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.86 -29.01 32.69 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 119.722 -0.791 . . . . 75.0 112.103 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -22.13 66.89 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.24 -57.36 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.089 -0.959 . . . . 25.0 112.359 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.84 -27.13 64.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.969 0.729 . . . . 50.0 112.969 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.77 -32.6 73.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.459 0.647 . . . . 50.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -75.63 -38.92 58.56 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 122.066 -0.396 . . . . 25.0 110.947 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.21 -37.63 88.15 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.08 -40.0 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -43.4 76.14 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-N 116.538 -0.301 . . . . 50.0 111.221 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -86.46 -31.84 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.1 -57.53 8.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.301 1.048 . . . . 50.0 111.811 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -71.92 -16.02 62.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.135 -1.393 . . . . 50.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.45 69.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 25.0 110.314 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.49 5.35 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -65.15 155.83 33.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.892 0.853 . . . . 25.0 113.276 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.63 -4.15 59.56 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.461 -0.876 . . . . 25.0 113.764 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -64.37 -35.66 81.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.222 0.534 . . . . 50.0 110.049 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.83 -28.63 65.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.923 -1.035 . . . . 50.0 110.628 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -17.18 6.46 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.959 -0.564 . . . . 50.0 112.641 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -124.69 146.3 49.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.193 0.997 . . . . 25.0 111.967 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.09 -21.77 64.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 116.667 2.099 . . . . 25.0 116.667 -170.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -114.38 21.45 14.61 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.646 0.736 . . . . 50.0 110.983 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -136.87 153.78 50.67 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 114.533 -1.212 . . . . 50.0 108.326 -172.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 mt -156.83 149.12 23.15 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 106.258 -1.756 . . . . 50.0 106.258 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 67.4 m -83.95 157.01 22.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.542 -0.911 . . . . 50.0 108.542 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -56.45 -39.98 74.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.107 0.41 . . . . 50.0 112.107 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -56.2 -36.01 67.91 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.102 0.477 . . . . 50.0 111.938 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.35 -39.05 65.51 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 121.511 0.672 . . . . 50.0 110.621 -175.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 50.0 109.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -61.46 -37.58 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 50.0 110.751 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.72 -45.23 37.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.24 -28.47 66.37 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.901 -0.72 . . . . 50.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.4 96.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 50.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.65 -22.56 37.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.555 -0.716 . . . . 50.0 110.981 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -27.75 63.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.997 -0.371 . . . . 25.0 109.997 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -107.14 -44.81 4.28 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 116.775 2.139 . . . . 50.0 116.775 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.84 -63.38 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.852 -0.613 . . . . 50.0 112.065 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m 33.21 43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.272 1.582 . . . . 50.0 115.272 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.58 0.07 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.34 -0.457 . . . . 50.0 113.66 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -20.69 63.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.241 1.2 . . . . 50.0 114.241 -174.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -23.73 67.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.75 -1.114 . . . . 50.0 110.412 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -98.86 -16.23 18.93 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.728 1.251 . . . . 25.0 109.053 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 2.6 28.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.36 -1.291 . . . . 25.0 110.926 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -79.88 121.94 26.04 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.158 0.504 . . . . 75.0 110.657 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -93.05 -30.06 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.243 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -74.51 97.23 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.377 0.608 . . . . 50.0 112.452 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.36 -34.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 50.0 112.194 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.04 -36.69 72.45 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.353 -0.939 . . . . 50.0 110.148 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.57 60.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.95 -35.65 75.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.481 -0.488 . . . . 50.0 110.986 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.25 -37.31 85.19 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.957 -0.464 . . . . 50.0 111.143 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -83.51 -33.18 25.58 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -81.43 -36.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 111.666 0.247 . . . . 50.0 111.666 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp -66.81 -38.23 86.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.789 -1.195 . . . . 50.0 109.542 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -73.51 -29.48 62.51 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.924 -0.71 . . . . 50.0 111.634 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.29 -48.87 71.63 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -30.85 71.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.939 0.399 . . . . 50.0 110.709 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.35 -34.42 74.57 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.582 -0.699 . . . . 25.0 112.29 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.1 -18.49 22.55 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.017 -0.427 . . . . 50.0 112.13 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -112.29 4.53 17.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.078 0.77 . . . . 50.0 113.078 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.52 79.63 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 116.293 -0.412 . . . . 25.0 113.749 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.63 7.63 19.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.842 0.312 . . . . 25.0 111.842 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.53 -146.4 6.06 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 111.187 -0.765 . . . . 50.0 111.187 175.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.3 pt-20 -148.94 142.36 25.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.049 -0.723 . . . . 50.0 109.049 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -149.83 -178.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 122.6 0.36 . . . . 50.0 110.821 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -130.85 -174.21 3.3 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.783 -0.573 . . . . 50.0 111.86 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -56.62 -41.33 76.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.689 0.626 . . . . 50.0 112.689 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -38.72 92.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 50.0 109.855 -177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.63 -31.16 69.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.784 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -67.58 -42.13 83.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.451 -0.781 . . . . 50.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.39 -41.54 81.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.839 -0.619 . . . . 50.0 112.161 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.67 -26.55 16.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 121.001 -1.062 . . . . 50.0 110.41 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.66 -29.41 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.131 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.8 -31.57 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.611 -1.236 . . . . 50.0 108.536 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.15 -20.64 62.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.01 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.69 -35.9 70.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.114 -0.698 . . . . 50.0 109.114 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -67.75 -44.85 76.54 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.06 -34.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.725 -0.79 . . . . 50.0 109.793 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.2 60.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.858 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.19 -48.31 10.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.343 0.497 . . . . 50.0 112.343 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -111.43 -36.39 5.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -20.91 65.14 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.813 -0.44 . . . . 75.0 109.813 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -40.9 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 117.652 2.464 . . . . 50.0 117.652 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -78.0 11.02 2.44 Favored 'General case' 0 CA--C 1.56 1.351 0 O-C-N 121.281 -0.887 . . . . 50.0 111.444 174.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -24.21 54.57 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.38 -0.825 . . . . 50.0 112.574 176.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.71 103.11 13.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.556 1.169 . . . . 25.0 109.262 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -99.46 161.95 13.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.232 -0.895 . . . . 50.0 110.588 173.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--O 1.249 1.049 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 175.683 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.0 -0.84 . . . . 25.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -81.65 164.31 21.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.32 -24.08 43.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.261 0.553 . . . . 50.0 110.315 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -30.48 71.52 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.323 -0.399 . . . . 50.0 111.859 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.47 -30.77 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -22.35 66.18 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 122.313 1.054 . . . . 25.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.72 -57.83 9.93 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.938 -1.028 . . . . 25.0 112.862 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 ptp -58.75 -26.13 63.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.13 -34.73 78.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.238 0.542 . . . . 50.0 110.682 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 p -74.07 -39.13 63.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.233 0.539 . . . . 25.0 111.26 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.65 -36.64 84.91 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 175.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -63.16 -39.91 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.31 75.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.973 0.17 . . . . 50.0 110.963 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 m -83.68 -31.31 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-O 121.252 0.548 . . . . 50.0 112.275 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -66.75 -56.21 11.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.332 1.063 . . . . 50.0 111.446 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -74.14 -14.0 60.9 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.027 -1.442 . . . . 50.0 111.351 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -108.3 -9.58 15.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.767 1.766 . . . . 50.0 115.767 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.5 p -64.87 160.78 19.7 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.047 1.294 . . . . 25.0 112.125 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -10.04 68.55 Favored Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.666 -0.697 . . . . 25.0 112.508 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -60.53 -42.09 95.78 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.399 -0.963 . . . . 50.0 108.399 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -103.56 41.7 1.25 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 124.858 2.266 . . . . 50.0 115.665 -172.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.6 -30.35 6.16 Favored Glycine 0 C--N 1.288 -2.094 0 CA-C-N 112.48 -2.145 . . . . 50.0 116.083 167.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.66 155.64 42.28 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.978 0.889 . . . . 25.0 113.377 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -73.56 -24.52 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.005 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.08 4.67 19.59 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.114 0.483 . . . . 50.0 111.493 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -115.83 149.92 37.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.446 -1.316 . . . . 50.0 107.446 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.72 144.65 21.71 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 105.245 -2.132 . . . . 50.0 105.245 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 p -78.43 152.03 32.38 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.081 0.467 . . . . 50.0 111.909 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -57.19 -40.99 78.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 50.0 110.549 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -53.91 -42.89 69.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.485 0.55 . . . . 50.0 112.485 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.222 0.534 . . . . 50.0 110.173 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.89 -38.5 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.961 -0.563 . . . . 50.0 110.848 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -63.9 -32.7 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.419 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -45.65 14.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.85 -31.69 72.78 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.557 -0.457 . . . . 50.0 110.235 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.22 94.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 110.098 -0.334 . . . . 50.0 110.098 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.26 -24.03 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.662 -0.815 . . . . 50.0 111.155 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -30.82 66.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.483 -0.192 . . . . 25.0 110.483 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.89 -45.08 7.1 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 -64.99 1.02 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.33 0.863 . . . . 50.0 113.33 -172.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m 44.61 32.63 0.79 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.701 1.371 . . . . 50.0 114.701 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.75 -52.99 0.07 OUTLIER Glycine 0 C--N 1.332 0.345 0 CA-C-O 121.896 0.72 . . . . 50.0 113.332 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -14.66 61.4 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -174.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.12 67.87 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.193 -0.912 . . . . 50.0 109.328 175.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -93.55 -27.34 16.69 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.715 1.245 . . . . 25.0 108.636 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.28 -10.64 60.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.182 -1.372 . . . . 25.0 113.536 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -64.44 138.73 58.57 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.252 -0.28 . . . . 50.0 110.799 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -123.44 -25.94 4.32 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.219 -0.3 . . . . 50.0 111.689 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -81.48 87.01 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.97 -35.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.453 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.13 -31.31 72.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.28 0.562 . . . . 50.0 110.962 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -57.86 3.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.302 0.572 . . . . 25.0 109.809 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.38 -31.98 55.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 N-CA-C 112.987 0.736 . . . . 50.0 112.987 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.8 -45.3 86.86 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.299 -0.56 . . . . 50.0 109.68 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.57 70.73 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.316 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.8 t -79.17 -44.88 24.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.287 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.88 -36.6 82.67 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.451 -0.781 . . . . 50.0 110.405 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -21.46 59.75 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.013 -0.675 . . . . 50.0 111.484 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.94 -45.63 34.07 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 105.241 -2.133 . . . . 50.0 105.241 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.548 -1.205 . . . . 50.0 110.398 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.95 -36.41 84.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -83.0 -33.27 26.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.138 0.97 . . . . 50.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.69 6.9 44.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.464 -1.244 . . . . 50.0 113.313 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.69 -30.48 74.96 Favored Glycine 0 CA--C 1.504 -0.617 0 CA-C-N 115.879 -0.601 . . . . 25.0 113.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.46 0.51 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.49 -166.63 39.17 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.105 -1.598 . . . . 50.0 109.105 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -132.25 144.24 50.48 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.853 -1.174 . . . . 50.0 113.364 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 m -148.58 -179.07 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 50.0 108.821 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -129.06 -174.17 3.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.403 0.52 . . . . 50.0 112.403 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -55.85 -38.32 69.92 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.35 -36.9 85.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.866 -0.42 . . . . 50.0 109.866 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.31 -39.73 89.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.606 0.717 . . . . 50.0 109.358 174.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.73 -44.02 91.5 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.238 -0.914 . . . . 50.0 110.292 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -32.3 55.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 O-C-N 122.228 -0.295 . . . . 50.0 111.72 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.1 -26.33 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.338 -0.851 . . . . 50.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -29.57 69.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -82.64 -33.52 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 118.71 -1.196 . . . . 50.0 109.164 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -20.66 63.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.829 -0.544 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.422 0.629 . . . . 25.0 109.502 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 mt -75.32 -36.06 61.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -46.45 77.08 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.904 0.383 . . . . 25.0 111.788 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.61 -32.78 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 119.77 -0.772 . . . . 50.0 111.113 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 -29.56 57.55 Favored 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 20.9 t -81.59 -54.92 5.01 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.088 0.773 . . . . 50.0 113.088 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.13 -45.46 5.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.978 0.894 . . . . 25.0 113.24 -168.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -72.0 -20.62 61.69 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 113.697 0.999 . . . . 75.0 113.697 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 34.1 t80 -40.27 -16.4 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.745 2.498 . . . . 50.0 117.745 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.25 11.01 7.18 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.84 0.856 . . . . 50.0 111.646 173.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.432 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.12 -3.17 0.08 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 126.35 1.86 . . . . 50.0 115.72 -176.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.87 126.36 26.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 168.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.37 123.52 18.47 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.459 -0.896 . . . . 50.0 111.187 -169.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 114.399 -1.273 . . . . 25.0 108.595 -176.615 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.359 0 N-CA-C 110.84 -0.904 . . . . 25.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -96.39 152.02 19.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.04 -39.72 87.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.476 0.655 . . . . 50.0 109.797 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.71 -31.1 72.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.127 1.158 . . . . 50.0 114.127 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.96 -25.53 37.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.491 -0.755 . . . . 75.0 111.647 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.7 m -69.44 -22.17 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.9 32.77 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ptp -59.74 -26.01 65.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 -177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.05 -33.88 75.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.6 0.715 . . . . 50.0 110.449 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.0 p -74.34 -39.54 62.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.893 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -35.92 82.69 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 176.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.87 -39.61 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -44.79 78.03 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.446 -0.343 . . . . 50.0 111.347 -176.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -85.02 -32.43 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 112.223 0.453 . . . . 50.0 112.223 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.7 -57.99 6.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.742 1.258 . . . . 50.0 111.311 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.79 -14.98 62.14 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.445 -1.707 . . . . 50.0 110.543 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.49 74.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -102.93 -3.57 25.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.232 0.827 . . . . 50.0 113.232 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.407 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 95.2 p -65.86 159.88 24.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -171.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.14 10.62 41.76 Favored Glycine 0 C--O 1.22 -0.723 0 CA-C-N 114.953 -1.021 . . . . 25.0 112.639 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -80.73 -28.29 36.6 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.717 -0.284 . . . . 50.0 110.903 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -26.7 55.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.583 -1.636 . . . . 50.0 106.583 171.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.28 -29.56 4.52 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.17 -1.35 . . . . 50.0 115.14 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -103.0 155.21 18.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 119.781 1.79 . . . . 25.0 113.116 175.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -23.09 64.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -172.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -111.62 15.93 20.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 50.0 111.295 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.17 151.41 50.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 115.721 -0.672 . . . . 50.0 109.555 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 5.0 mt -154.12 164.29 38.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.785 -1.191 . . . . 50.0 107.785 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 99.0 p -86.01 158.48 19.84 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.689 -0.856 . . . . 50.0 108.689 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -62.06 -41.56 98.27 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.661 0.267 . . . . 50.0 111.44 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.1 -36.35 72.76 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 121.113 0.482 . . . . 50.0 111.391 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -38.95 85.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.328 0.585 . . . . 50.0 110.795 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -37.21 83.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 50.0 110.263 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.65 -40.29 91.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.358 . . . . 50.0 110.861 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.57 -38.01 35.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.11 -29.57 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.302 -0.874 . . . . 50.0 110.118 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.88 -43.63 95.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.904 -0.498 . . . . 50.0 110.328 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.98 -22.62 42.34 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.997 -0.681 . . . . 50.0 111.18 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -27.99 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.528 0.204 . . . . 25.0 111.217 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.99 -44.89 5.35 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.68 0.993 . . . . 50.0 113.68 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.38 -61.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.877 -174.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.75 29.79 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.082 1.512 . . . . 50.0 115.082 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.41 -52.4 0.08 OUTLIER Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.553 0.529 . . . . 50.0 113.325 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -71.41 -16.48 62.4 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 113.817 1.043 . . . . 50.0 113.817 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -25.1 67.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.184 -0.916 . . . . 50.0 109.654 175.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -99.83 -26.44 14.02 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.841 1.305 . . . . 25.0 109.029 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.12 -5.02 28.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.394 -1.276 . . . . 25.0 113.022 -177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.41 141.58 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.348 0.259 . . . . 75.0 111.484 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -129.47 -24.31 2.8 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.445 0.905 . . . . 50.0 113.445 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -79.88 90.75 5.32 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.7 -36.16 75.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.299 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.61 -31.21 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.272 0.558 . . . . 50.0 111.141 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.72 -57.79 3.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.563 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.97 -30.41 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 N-CA-C 113.854 1.057 . . . . 50.0 113.854 -170.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.53 -44.34 91.16 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.243 -0.651 . . . . 50.0 109.243 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.36 73.16 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.328 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.53 -43.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.365 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.6 mtp -65.68 -41.01 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.686 -0.634 . . . . 50.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -26.12 64.47 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 119.942 -0.703 . . . . 50.0 111.547 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -74.53 -47.0 35.44 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -36.55 84.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.062 0.458 . . . . 50.0 110.313 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.33 -31.08 71.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.18 -11.79 25.62 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.3 10.51 11.99 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.603 0.594 . . . . 50.0 112.603 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.77 68.1 Favored Glycine 0 C--O 1.227 -0.309 0 N-CA-C 114.637 0.615 . . . . 25.0 114.637 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -86.39 7.84 24.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.065 0.433 . . . . 25.0 111.985 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.56 -156.74 25.49 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.133 -1.987 . . . . 50.0 108.133 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -138.46 148.86 44.84 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.78 -179.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.614 -1.175 . . . . 50.0 109.741 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.33 -174.31 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.933 -0.395 . . . . 50.0 109.933 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.92 -42.2 79.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.332 0.493 . . . . 50.0 112.332 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.28 -40.59 94.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.511 -0.551 . . . . 50.0 109.511 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -29.92 68.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 50.0 111.544 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -66.58 -41.29 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.669 -0.812 . . . . 50.0 109.183 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.18 -38.06 75.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.938 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.15 -37.32 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.44 -35.91 82.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.265 -0.425 . . . . 50.0 112.063 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.66 -31.19 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.527 -0.869 . . . . 50.0 109.156 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.71 -20.6 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.3 68.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.09 54.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 50.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.51 -46.71 75.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.16 -35.04 74.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.29 -0.564 . . . . 50.0 109.569 -177.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.03 -32.78 59.52 Favored 'General case' 0 C--O 1.201 -1.467 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.419 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.5 -44.96 33.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.676 0.991 . . . . 50.0 113.676 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -108.38 -51.18 2.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.66 -21.0 64.47 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 112.92 0.711 . . . . 75.0 112.92 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.596 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.9 p90 -46.34 -15.86 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.174 2.657 . . . . 50.0 118.174 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -79.43 10.96 3.28 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.114 0.565 . . . . 50.0 111.282 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.596 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -57.57 -12.42 2.76 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.227 1.195 . . . . 50.0 114.227 178.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.93 159.6 22.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.362 0.601 . . . . 25.0 110.254 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 50.0 110.745 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.253 1.245 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 178.64 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.839 0 N-CA-C 111.457 -0.657 . . . . 25.0 111.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -105.76 171.89 7.09 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -30.11 61.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.639 0.607 . . . . 50.0 112.639 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -26.95 68.94 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.61 -25.19 49.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.162 0.506 . . . . 50.0 111.632 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -22.24 52.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.65 0.738 . . . . 25.0 109.578 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.08 7.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.488 -0.778 . . . . 25.0 112.702 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -33.63 65.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.634 0.605 . . . . 50.0 112.634 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.64 -34.75 74.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.863 0.363 . . . . 50.0 111.677 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.0 p -71.69 -38.76 70.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 25.0 110.888 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.44 -37.27 84.79 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.1 -38.04 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.933 -0.765 . . . . 50.0 108.933 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -47.03 76.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.973 0.171 . . . . 50.0 111.1 -178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.23 -31.86 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.288 0.566 . . . . 50.0 112.15 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -65.91 -59.03 4.25 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 122.688 1.232 . . . . 50.0 110.78 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -72.11 -15.12 61.99 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.425 -1.716 . . . . 50.0 111.117 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -40.37 85.35 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.038 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -94.89 -8.93 35.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.848 0.685 . . . . 50.0 112.848 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -63.9 156.39 27.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.201 1.556 . . . . 25.0 115.201 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.83 -5.92 43.55 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.768 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -61.34 -40.77 95.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.302 0.572 . . . . 50.0 109.895 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -106.33 41.86 1.36 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 124.845 2.259 . . . . 50.0 115.548 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.09 -30.86 7.55 Favored Glycine 0 C--N 1.289 -2.076 0 CA-C-N 112.321 -2.218 . . . . 50.0 114.753 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -137.69 160.46 39.16 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -11.13 50.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -105.99 8.88 32.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.012 -1.107 . . . . 50.0 108.012 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -132.03 161.54 32.94 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.908 -1.886 . . . . 50.0 105.908 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.96 168.46 26.7 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 104.63 -2.359 . . . . 50.0 104.63 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 153.84 17.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -55.89 -39.52 71.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.434 -0.348 . . . . 50.0 111.182 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -56.51 -42.43 78.38 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.335 -0.617 . . . . 50.0 109.335 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.66 -39.25 93.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.04 -0.527 . . . . 50.0 111.196 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -61.33 -39.55 90.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 50.0 109.723 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -45.42 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -175.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.03 -32.63 74.22 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.04 0.448 . . . . 50.0 110.096 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.97 -49.55 69.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.821 -0.549 . . . . 50.0 109.863 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.14 -24.42 57.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.692 -0.803 . . . . 50.0 111.125 -172.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.08 63.65 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.124 0.265 . . . . 25.0 110.378 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.21 -43.09 8.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.422 0.629 . . . . 50.0 111.842 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -64.46 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m 43.04 36.21 0.89 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.623 1.342 . . . . 50.0 114.623 -173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.7 -49.73 0.06 OUTLIER Glycine 0 C--N 1.334 0.455 0 CA-C-O 121.653 0.585 . . . . 50.0 113.162 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -18.97 63.05 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 113.346 0.869 . . . . 50.0 113.346 -176.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.113 -0.949 . . . . 50.0 109.498 177.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.17 -26.74 19.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.709 1.242 . . . . 25.0 108.786 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.74 -9.28 58.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.321 -1.308 . . . . 25.0 112.672 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -73.8 117.93 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -108.91 -17.4 13.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.123 -0.361 . . . . 50.0 111.769 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -83.58 93.98 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.209 0.528 . . . . 50.0 110.816 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -34.68 66.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.766 -0.652 . . . . 50.0 111.418 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.46 -32.83 71.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.86 -0.736 . . . . 50.0 111.294 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 -52.64 17.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 25.0 109.823 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.94 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.808 -0.357 . . . . 50.0 111.542 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.44 -36.71 85.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.248 0.547 . . . . 50.0 110.532 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -83.43 -32.25 26.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 25.0 111.635 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.6 -38.34 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 116.563 -0.29 . . . . 50.0 111.762 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 mmt -68.29 -35.8 78.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.986 -1.086 . . . . 50.0 109.851 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -72.34 -29.42 63.79 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 119.854 -0.738 . . . . 50.0 110.401 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.43 -45.05 77.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 106.585 -1.635 . . . . 50.0 106.585 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -29.23 70.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 50.0 111.458 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.3 -38.78 75.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.159 0.504 . . . . 25.0 111.369 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.61 -35.65 45.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 122.206 1.003 . . . . 50.0 110.642 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -103.93 5.15 35.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 50.0 114.115 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.17 -31.59 69.58 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 121.827 -0.225 . . . . 25.0 113.636 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -83.53 0.45 46.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 -178.98 41.91 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 107.302 -2.319 . . . . 50.0 107.302 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -119.1 143.88 46.92 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 112.951 -1.625 . . . . 50.0 112.491 -172.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.85 -178.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.875 -1.057 . . . . 50.0 109.774 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.31 -174.14 3.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.27 -0.269 . . . . 50.0 110.318 -174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.874 0.694 . . . . 50.0 112.874 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -65.79 -37.58 86.68 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.72 -33.32 70.73 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.339 -0.544 . . . . 50.0 110.49 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.25 -43.84 85.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.034 -1.041 . . . . 50.0 109.947 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -29.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 112.205 0.446 . . . . 50.0 112.205 -177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.8 -28.23 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.159 -0.963 . . . . 50.0 109.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.56 -29.32 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.776 -0.453 . . . . 50.0 109.776 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.08 -33.57 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 118.884 -1.126 . . . . 50.0 109.461 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.03 -20.68 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.753 -0.592 . . . . 25.0 111.351 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.7 73.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.458 0.647 . . . . 25.0 109.754 174.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -36.07 70.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 m -67.23 -45.01 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.992 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.21 -31.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 119.883 -0.727 . . . . 50.0 110.52 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.45 64.68 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.0 t -84.65 -51.52 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.659 0.743 . . . . 50.0 112.9 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.75 -38.97 7.64 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.956 1.465 . . . . 25.0 114.956 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -18.9 62.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.897 -0.502 . . . . 75.0 109.878 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -40.72 -25.42 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.249 2.314 . . . . 50.0 117.249 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -78.12 11.06 2.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.059 0.763 . . . . 50.0 113.059 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -20.58 61.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.386 0.674 . . . . 50.0 111.813 173.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 128.23 34.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.59 0.709 . . . . 25.0 110.009 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.47 77.99 3.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.889 1.328 . . . . 50.0 109.942 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.307 -1.281 0 CA-C-N 113.082 -1.872 . . . . 25.0 114.001 178.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.271 0 N-CA-C 111.139 -0.784 . . . . 25.0 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -74.24 151.57 39.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 25.0 110.165 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.07 -40.72 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.039 0.447 . . . . 50.0 110.436 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -30.5 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.74 0.645 . . . . 50.0 112.74 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.0 -24.77 35.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 120.165 -0.614 . . . . 75.0 112.235 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -71.49 -20.35 62.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.74 -53.17 58.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -32.57 69.76 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.21 0.459 . . . . 50.0 111.706 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.74 -33.38 70.18 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.845 0.458 . . . . 50.0 111.691 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.2 p -72.72 -39.51 66.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.87 -0.519 . . . . 25.0 110.841 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.49 80.5 Favored 'General case' 0 C--O 1.207 -1.149 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.81 -39.42 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -45.99 80.15 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.273 0.358 . . . . 50.0 111.161 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.81 -30.98 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -66.24 -60.56 2.67 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.301 1.048 . . . . 50.0 110.612 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -70.77 -15.35 62.67 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.939 -1.482 . . . . 50.0 111.618 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.88 74.42 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.02 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -115.88 5.02 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.335 0.865 . . . . 50.0 113.335 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -76.15 166.51 23.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.458 1.281 . . . . 25.0 114.458 -173.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.15 0.58 55.96 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.549 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.82 -41.78 95.48 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.576 -0.527 . . . . 50.0 109.576 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -98.94 41.91 1.12 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 124.936 2.303 . . . . 50.0 115.226 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.55 -30.82 6.55 Favored Glycine 0 C--N 1.289 -2.08 0 CA-C-N 112.557 -2.11 . . . . 50.0 115.139 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -137.44 156.29 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.619 0.709 . . . . 25.0 112.728 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -16.66 58.89 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -175.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.79 5.03 49.66 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 108.898 -0.779 . . . . 50.0 108.898 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -127.26 156.84 41.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.657 -1.238 . . . . 50.0 107.657 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mt -157.22 157.77 34.95 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.187 -1.782 . . . . 50.0 106.187 175.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -81.0 153.39 27.46 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.385 -0.968 . . . . 50.0 108.385 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -58.09 -40.49 81.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 50.0 110.208 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.67 -39.14 90.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.538 0.94 . . . . 50.0 113.538 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.58 -39.1 88.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.506 0.669 . . . . 50.0 109.524 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.29 -38.91 92.73 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.63 -0.713 . . . . 50.0 110.06 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.43 -36.24 83.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.681 0.276 . . . . 50.0 110.287 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -46.47 44.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -177.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.38 -30.6 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.237 -0.585 . . . . 50.0 110.481 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.71 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.935 -0.478 . . . . 50.0 110.206 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.25 -22.41 41.74 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.926 -0.71 . . . . 50.0 111.033 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.3 57.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 25.0 110.56 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.95 -45.12 6.4 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.882 1.068 . . . . 50.0 113.882 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -66.1 0.93 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 50.0 111.774 -173.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.1 t 40.38 41.48 1.05 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.19 -43.89 0.07 OUTLIER Glycine 0 C--O 1.223 -0.563 0 N-CA-C 112.088 -0.405 . . . . 50.0 112.088 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -18.07 62.74 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.207 0.817 . . . . 50.0 113.207 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.9 66.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.03 -0.986 . . . . 50.0 110.404 175.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.34 -26.67 12.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.054 0.93 . . . . 25.0 109.544 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.39 -26.01 60.8 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.398 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -64.84 147.31 53.49 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.226 1.01 . . . . 75.0 111.139 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -128.94 -34.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.704 1.001 . . . . 50.0 113.704 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.17 94.28 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.934 0.397 . . . . 50.0 110.695 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.93 -35.21 72.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.653 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.99 -31.53 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.316 0.579 . . . . 50.0 111.09 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.63 -56.72 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.002 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.49 -33.31 62.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.007 0.743 . . . . 50.0 113.007 -171.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.38 -46.07 84.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.444 0.64 . . . . 50.0 110.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.37 70.97 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.903 -175.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.005 -0.543 . . . . 50.0 110.508 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.7 mmt -65.28 -40.09 93.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.435 -0.79 . . . . 50.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -74.18 -19.18 60.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.106 -0.637 . . . . 50.0 111.701 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -76.28 -47.43 23.77 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 105.21 -2.145 . . . . 50.0 105.21 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -32.93 72.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.984 -1.007 . . . . 50.0 111.306 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.4 -39.93 89.32 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.448 -0.501 . . . . 25.0 112.228 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -84.22 -29.97 26.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.824 0.821 . . . . 50.0 111.417 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -101.87 7.24 41.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.144 -0.934 . . . . 50.0 112.911 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.64 65.9 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 119.883 -0.399 . . . . 25.0 114.084 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.09 4.56 33.56 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.485 0.314 . . . . 25.0 111.64 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.04 -170.68 39.94 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.663 -2.575 . . . . 50.0 106.663 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.63 149.29 52.55 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -144.68 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.432 -1.258 . . . . 50.0 108.397 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.97 -174.13 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 50.0 109.762 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -57.67 -41.63 81.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.87 -0.418 . . . . 50.0 109.87 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.739 0.304 . . . . 50.0 111.211 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -66.1 -41.67 90.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -37.7 75.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.408 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.3 -38.22 73.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.43 -38.05 89.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.238 -0.437 . . . . 50.0 111.695 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -76.63 -28.59 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.727 -0.789 . . . . 50.0 109.614 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.94 -20.53 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.995 -0.441 . . . . 25.0 112.096 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.45 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -78.15 -33.91 50.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.956 -0.565 . . . . 50.0 109.633 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.2 m -66.52 -46.39 76.36 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.51 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.839 -0.801 . . . . 50.0 108.839 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.24 73.45 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 116.33 -0.396 . . . . 25.0 111.241 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.85 -44.37 23.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.124 1.157 . . . . 50.0 114.124 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -105.07 -49.74 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -171.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.83 -16.28 61.14 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 113.175 0.806 . . . . 75.0 113.175 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 6.1 p90 -47.19 -15.59 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.376 2.361 . . . . 50.0 117.376 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -78.37 10.93 2.69 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.604 0.762 . . . . 50.0 111.351 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.565 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.51 -15.53 50.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.52 0.728 . . . . 50.0 112.207 176.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -67.65 138.49 56.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.512 0.672 . . . . 25.0 110.543 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -74.3 132.18 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.121 -0.696 . . . . 50.0 109.121 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.46 -0.781 . . . . 25.0 110.952 -178.342 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.889 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.273 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -105.33 -179.42 3.94 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.85 -26.9 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.844 0.683 . . . . 50.0 112.844 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -28.84 70.32 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.878 0.696 . . . . 50.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.55 -22.86 40.4 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.804 0.729 . . . . 50.0 112.17 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -22.16 62.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.349 0.595 . . . . 25.0 110.573 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -58.75 6.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -32.96 63.6 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.398 0.518 . . . . 50.0 112.398 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.49 -36.38 71.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.154 0.502 . . . . 50.0 111.638 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.7 p -73.36 -39.96 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.551 . . . . 25.0 111.43 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -36.19 82.85 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 108.819 -0.808 . . . . 50.0 108.819 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.61 -38.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.91 78.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.855 0.097 . . . . 50.0 111.255 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.25 -31.32 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.17 0.509 . . . . 50.0 112.26 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -71.01 -54.96 9.36 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 122.551 1.167 . . . . 50.0 111.439 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.31 -14.03 62.07 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 113.609 -1.632 . . . . 50.0 110.546 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.95 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -101.83 -13.79 17.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.013 1.116 . . . . 50.0 114.013 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.5 p -63.93 154.06 35.06 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.359 -0.838 . . . . 25.0 109.807 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.2 -16.56 58.03 Favored Glycine 0 C--O 1.224 -0.522 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.37 -31.58 72.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -77.48 -25.59 50.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.593 0.711 . . . . 50.0 110.905 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.5 -26.06 5.26 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-O 119.524 -0.598 . . . . 50.0 114.063 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.42 153.42 33.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.015 0.908 . . . . 25.0 111.43 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -113.46 5.04 16.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.765 0.283 . . . . 50.0 111.765 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.22 148.47 43.63 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.559 0.695 . . . . 50.0 110.085 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -155.89 149.55 25.03 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 106.981 -1.489 . . . . 50.0 106.981 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 96.3 p -75.29 151.94 38.27 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.639 -0.424 . . . . 50.0 110.908 -177.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -59.25 -43.84 92.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.94 -0.304 . . . . 50.0 111.246 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -55.56 -39.22 70.36 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.35 0.5 . . . . 50.0 112.35 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.81 -36.52 83.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 50.0 111.137 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.39 -37.11 85.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.205 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.62 -32.78 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.566 -0.288 . . . . 50.0 110.269 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.47 -47.39 23.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.601 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.22 -29.98 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.828 -0.545 . . . . 50.0 110.83 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -44.43 94.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.941 -0.474 . . . . 50.0 109.88 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -80.25 -22.42 41.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.85 -0.74 . . . . 50.0 111.361 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -27.77 60.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.569 0.211 . . . . 25.0 111.569 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.82 -44.97 5.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.955 0.724 . . . . 50.0 112.955 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -62.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.241 0.46 . . . . 50.0 112.241 -172.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.1 p 44.53 34.37 1.09 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.884 1.438 . . . . 50.0 114.884 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.07 -48.65 0.06 OUTLIER Glycine 0 C--O 1.224 -0.479 0 CA-C-O 121.779 0.655 . . . . 50.0 112.891 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -12.26 60.53 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 121.676 -0.896 . . . . 50.0 113.384 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -24.42 67.0 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.232 -0.894 . . . . 50.0 108.985 175.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -86.91 -36.53 18.33 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.3 19.37 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.404 -1.725 . . . . 25.0 114.259 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.45 114.03 12.37 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.903 -0.498 . . . . 50.0 109.929 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -107.05 -19.32 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.268 -0.27 . . . . 50.0 111.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -84.3 83.25 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.002 -1.11 . . . . 50.0 108.002 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -34.66 68.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 50.0 110.579 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.15 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.261 0.553 . . . . 50.0 110.983 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -58.64 3.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 m -66.71 -29.4 46.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -172.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.12 -41.93 99.44 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -32.08 64.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.963 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.65 -41.0 17.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 122.712 0.405 . . . . 50.0 111.261 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 92.4 mtp -64.5 -39.79 94.45 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.221 -0.924 . . . . 50.0 109.322 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -72.21 -29.24 63.78 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.002 -0.679 . . . . 50.0 111.219 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.76 -44.86 84.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 106.253 -1.758 . . . . 50.0 106.253 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -29.45 70.69 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.707 -1.133 . . . . 50.0 110.559 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -71.95 -34.87 69.36 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.359 -0.838 . . . . 25.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -79.72 -36.5 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.3 1.048 . . . . 50.0 110.389 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -101.72 3.55 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.168 -1.378 . . . . 50.0 113.336 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.4 -27.83 70.09 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.62 -0.718 . . . . 25.0 114.284 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.76 -1.71 39.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.459 0.153 . . . . 25.0 111.335 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.08 -171.38 32.49 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 108.696 -1.762 . . . . 50.0 108.696 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -130.79 150.03 52.15 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 113.361 -1.419 . . . . 50.0 114.48 -171.106 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.13 -179.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 113.965 -1.471 . . . . 50.0 111.041 -170.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.92 -174.22 3.25 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -56.94 -39.54 74.72 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.175 0.806 . . . . 50.0 113.175 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.37 -35.91 81.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.81 -34.46 75.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.319 0.58 . . . . 50.0 110.68 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -69.83 -44.59 69.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.515 -0.741 . . . . 50.0 111.048 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -31.63 51.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.883 -0.51 . . . . 50.0 112.12 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -81.69 -27.4 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.111 -0.993 . . . . 50.0 110.208 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.78 -29.45 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.51 -33.14 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 118.876 -1.13 . . . . 50.0 109.494 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.83 63.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.808 -0.557 . . . . 25.0 111.441 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.32 72.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 25.0 109.29 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.93 -34.27 62.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.13 -45.99 75.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.69 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.12 -33.66 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.057 -0.657 . . . . 50.0 110.532 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.14 -27.31 61.59 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 122.169 -0.332 . . . . 25.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.53 -54.64 4.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.023 0.916 . . . . 50.0 112.675 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -96.6 -46.44 6.32 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 114.484 -1.234 . . . . 25.0 113.528 -168.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.318 3.4 m120 -69.21 -20.61 63.97 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.783 -1.099 . . . . 75.0 111.698 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -42.39 -17.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.767 2.136 . . . . 50.0 116.767 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -82.7 10.05 8.36 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-O 121.39 0.614 . . . . 50.0 111.437 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -13.93 3.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.863 1.06 . . . . 50.0 113.863 177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.1 142.54 57.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.472 0.653 . . . . 25.0 110.04 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -72.47 128.21 34.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.618 0.723 . . . . 50.0 110.241 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.319 -0.736 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 -174.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.422 0 N-CA-C 114.046 0.379 . . . . 25.0 114.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -74.6 155.89 37.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.38 -42.32 75.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.993 -0.683 . . . . 50.0 110.485 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -33.61 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.429 0.9 . . . . 50.0 113.429 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.68 -22.65 50.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.006 0.743 . . . . 75.0 113.006 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -72.01 -22.12 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.27 -55.7 16.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -30.91 65.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.646 0.61 . . . . 50.0 112.646 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.38 -29.94 70.23 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 122.808 0.443 . . . . 50.0 111.759 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -80.48 -34.27 35.97 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.093 -0.643 . . . . 25.0 111.337 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 107.883 -1.154 . . . . 50.0 107.883 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mt -61.62 -41.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.863 -0.792 . . . . 50.0 108.863 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -45.16 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.204 0.315 . . . . 50.0 111.294 -176.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.55 -30.86 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.24 -55.41 10.64 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-O 122.451 1.12 . . . . 50.0 110.47 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -72.3 -14.38 61.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.739 -1.573 . . . . 50.0 111.984 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.88 82.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -103.94 -12.2 16.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.957 1.095 . . . . 50.0 113.957 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -62.72 149.91 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.269 -0.894 . . . . 25.0 110.743 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.29 -12.92 60.22 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.536 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -65.63 -29.25 69.8 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.556 -0.379 . . . . 50.0 110.368 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -78.4 -25.59 46.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.983 -0.553 . . . . 50.0 110.508 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -23.26 5.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-O 119.269 -0.739 . . . . 50.0 114.327 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.4 154.09 35.61 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.342 1.071 . . . . 25.0 112.23 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -24.23 64.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -108.11 8.24 28.02 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.858 0.361 . . . . 50.0 111.181 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -123.05 148.58 45.43 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 121.448 0.642 . . . . 50.0 111.91 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -156.78 144.32 19.07 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.043 -1.095 . . . . 50.0 108.043 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -71.87 152.64 42.45 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.327 -0.233 . . . . 50.0 111.35 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -55.61 -46.54 77.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.021 0.378 . . . . 50.0 112.021 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -55.98 -40.9 73.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.791 0.663 . . . . 50.0 112.791 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.15 -37.47 87.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.33 0.586 . . . . 50.0 111.405 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.59 -37.29 87.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.569 . . . . 50.0 110.281 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.06 -31.64 71.43 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.999 -0.371 . . . . 50.0 109.999 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.89 -48.08 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.367 0.267 . . . . 25.0 111.334 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.2 -29.79 66.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.667 -0.645 . . . . 50.0 111.072 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.616 -0.677 . . . . 50.0 110.446 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -80.75 -23.05 39.66 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.628 -0.67 . . . . 50.0 110.539 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -32.71 51.9 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.609 -0.269 . . . . 25.0 111.64 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.34 -44.86 6.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.445 1.276 . . . . 50.0 114.445 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -60.38 1.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.555 -0.748 . . . . 50.0 111.067 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 46.77 27.82 0.73 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.341 1.608 . . . . 50.0 115.341 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.95 -55.11 0.09 OUTLIER Glycine 0 C--N 1.333 0.391 0 CA-C-O 121.442 0.468 . . . . 50.0 113.041 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -21.4 63.75 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 114.452 1.279 . . . . 50.0 114.452 -174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.775 -1.102 . . . . 50.0 109.943 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -99.83 -20.9 15.96 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.558 1.171 . . . . 25.0 109.44 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -13.71 62.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.59 -1.187 . . . . 25.0 111.551 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.01 144.1 57.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.978 -0.555 . . . . 75.0 111.849 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -127.54 -25.18 3.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.198 0.599 . . . . 50.0 112.518 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -72.73 96.83 2.09 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.962 0.41 . . . . 50.0 110.241 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.22 -36.15 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.967 -0.561 . . . . 50.0 112.396 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.77 -37.57 76.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.196 -1.002 . . . . 50.0 109.913 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.52 62.23 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.49 -36.72 78.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.526 -0.47 . . . . 50.0 110.619 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.02 -46.9 79.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.921 0.391 . . . . 50.0 110.435 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.19 -32.49 59.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.12 -40.09 21.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.88 -0.146 . . . . 50.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.8 -41.89 91.35 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 118.926 -1.11 . . . . 50.0 109.578 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -70.72 -24.99 62.75 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.256 -0.577 . . . . 50.0 111.686 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.38 -50.18 48.56 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 106.14 -1.8 . . . . 50.0 106.14 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -32.52 73.93 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.921 -1.036 . . . . 50.0 111.165 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -67.83 -34.18 76.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -84.56 -32.89 23.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.91 0.862 . . . . 50.0 111.133 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -102.41 7.83 40.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.852 -1.067 . . . . 50.0 113.039 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.64 -32.87 61.92 Favored Glycine 0 C--N 1.321 -0.299 0 N-CA-C 115.494 0.958 . . . . 25.0 115.494 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -81.39 2.56 27.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.067 0.434 . . . . 25.0 111.541 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.67 -163.88 39.78 Favored Glycine 0 N--CA 1.438 -1.219 0 N-CA-C 109.267 -1.533 . . . . 50.0 109.267 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -131.69 146.18 52.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.047 -1.077 . . . . 50.0 113.462 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.03 178.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.556 0.742 . . . . 50.0 109.72 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.01 -175.02 3.64 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.851 -0.53 . . . . 50.0 110.569 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.2 -42.2 85.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.792 0.293 . . . . 50.0 111.792 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.78 -41.98 98.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.86 -33.79 75.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.43 -0.908 . . . . 50.0 111.443 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.79 -41.67 99.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.145 -0.622 . . . . 50.0 109.51 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.27 -39.43 78.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 111.957 0.355 . . . . 50.0 111.957 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.83 -35.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.61 -36.14 80.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.519 -0.31 . . . . 50.0 111.784 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -76.09 -29.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.54 -0.864 . . . . 50.0 108.795 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.98 -20.93 60.19 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.818 -0.551 . . . . 25.0 111.327 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -34.2 75.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -35.59 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.043 -0.725 . . . . 50.0 109.043 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -67.17 -48.11 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.162 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.73 -33.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.327 -0.549 . . . . 50.0 110.283 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.03 -25.93 59.1 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.624 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.18 -54.57 4.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.367 0.603 . . . . 50.0 112.52 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -104.71 -32.2 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -166.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.41 -20.99 35.98 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.978 -0.378 . . . . 75.0 109.978 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 63.5 t80 -40.79 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.681 2.845 . . . . 50.0 118.681 177.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -82.97 10.59 7.59 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 123.768 0.827 . . . . 50.0 111.211 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -57.54 -18.26 18.26 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.031 0.933 . . . . 50.0 112.903 174.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.09 170.02 12.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -86.61 150.82 23.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.894 -0.593 . . . . 50.0 109.543 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.249 1.034 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 178.07 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.103 0 CA-C-O 119.257 -0.746 . . . . 25.0 111.392 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -93.88 173.22 7.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.431 -0.951 . . . . 25.0 108.431 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.72 -28.69 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 116.839 2.162 . . . . 50.0 116.839 -171.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.744 -0.598 . . . . 50.0 111.333 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.7 -25.12 35.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 119.31 -0.956 . . . . 50.0 111.983 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -22.4 66.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 25.0 110.188 174.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -52.08 65.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptp -61.2 -25.4 67.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.74 0.644 . . . . 50.0 112.74 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.47 -33.35 75.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.228 0.537 . . . . 50.0 110.543 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -73.17 -38.37 66.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.123 0.487 . . . . 25.0 110.937 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.52 -37.07 86.26 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.76 -38.5 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.361 -0.607 . . . . 50.0 109.361 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.21 72.55 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.033 0.208 . . . . 50.0 110.871 -179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.99 -30.93 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.192 0.52 . . . . 50.0 112.148 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.61 -57.71 7.5 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 122.427 1.108 . . . . 50.0 110.801 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.64 -17.03 61.7 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.87 -1.513 . . . . 50.0 110.823 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.5 78.08 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.887 -0.725 . . . . 25.0 109.114 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -103.99 -3.73 24.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.461 0.912 . . . . 50.0 113.461 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.7 p -72.07 167.18 20.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.62 0.724 . . . . 25.0 112.155 -174.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.29 68.46 Favored Glycine 0 CA--C 1.51 -0.268 0 C-N-CA 120.758 -0.734 . . . . 25.0 111.75 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -62.32 -43.3 99.15 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.952 -0.759 . . . . 50.0 108.952 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -102.57 41.63 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.783 2.23 . . . . 50.0 115.729 -172.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -30.81 6.53 Favored Glycine 0 C--N 1.287 -2.183 0 CA-C-N 112.73 -2.032 . . . . 50.0 114.909 168.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.59 165.15 25.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.283 0.541 . . . . 25.0 110.508 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 64.8 pttt -93.01 -20.84 20.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -177.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 26.1 m-85 -90.54 -14.25 32.98 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.997 0.903 . . . . 50.0 108.62 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -111.93 155.68 23.31 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 113.8 -1.545 . . . . 50.0 107.689 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -160.15 149.36 17.53 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.662 -1.977 . . . . 50.0 105.662 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -80.73 150.92 29.11 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.581 -0.448 . . . . 50.0 111.381 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HE2' HG13 ' A' ' 69' ' ' VAL . 32.8 mttm -57.02 -38.04 72.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.291 -0.413 . . . . 50.0 111.772 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -54.83 -41.72 71.05 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.3 0.481 . . . . 50.0 112.3 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.65 -40.19 69.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.226 0.536 . . . . 50.0 110.218 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.59 -39.62 94.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.346 0.593 . . . . 50.0 110.77 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.02 -34.15 77.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.899 -0.591 . . . . 50.0 110.207 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -77.25 -44.41 29.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.74 -30.67 69.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.773 -0.58 . . . . 50.0 110.258 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.25 -43.59 97.57 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.616 -0.513 . . . . 50.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.97 -23.11 38.99 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.993 -0.683 . . . . 50.0 111.31 -175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -29.16 61.23 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.164 0.29 . . . . 25.0 111.726 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.19 -44.95 5.79 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -62.8 1.57 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.069 -0.514 . . . . 50.0 111.74 -173.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m 46.84 28.89 0.9 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.625 1.343 . . . . 50.0 114.625 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.77 -53.88 0.07 OUTLIER Glycine 0 C--N 1.332 0.309 0 CA-C-O 121.815 0.675 . . . . 50.0 113.305 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.63 -14.58 61.63 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -24.87 67.85 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.139 -0.937 . . . . 50.0 109.308 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.5 -29.23 14.01 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.687 1.232 . . . . 25.0 108.998 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.39 52.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.234 . . . . 25.0 113.658 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -63.66 140.09 58.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.427 -0.212 . . . . 50.0 110.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.94 -25.03 3.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -79.96 89.31 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.183 -0.673 . . . . 50.0 109.183 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.37 -34.69 65.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.75 -0.659 . . . . 50.0 111.734 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.68 -36.8 76.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.332 -0.947 . . . . 50.0 110.702 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -53.93 42.2 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.89 -31.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.211 0.529 . . . . 50.0 110.102 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -76.23 -27.69 56.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.141 -0.482 . . . . 25.0 112.096 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.8 -42.15 17.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 122.375 0.27 . . . . 50.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.77 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.448 -0.782 . . . . 50.0 109.783 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -23.87 60.18 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 119.847 -0.741 . . . . 50.0 111.925 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -74.63 -44.68 49.34 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.001 -1.852 . . . . 50.0 106.001 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -34.79 75.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.065 -0.97 . . . . 50.0 110.429 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.97 -36.36 83.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.04 0.448 . . . . 25.0 111.938 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -84.1 -32.72 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.265 1.031 . . . . 50.0 111.662 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -103.87 4.99 35.48 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.208 -1.36 . . . . 50.0 113.823 -169.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.86 76.88 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 116.336 -0.393 . . . . 25.0 113.778 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.55 5.17 40.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.72 -163.6 39.52 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 106.885 -2.486 . . . . 50.0 106.885 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.96 146.3 40.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.449 -0.875 . . . . 50.0 112.004 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG13 ' HE2' ' A' ' 30' ' ' LYS . 15.4 m -148.55 -178.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.244 -1.344 . . . . 50.0 108.795 -173.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.53 -174.17 3.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.296 0.498 . . . . 50.0 111.655 -174.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.83 -39.85 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.734 0.642 . . . . 50.0 112.734 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.0 -36.76 85.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.433 -0.58 . . . . 50.0 109.433 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.75 -37.42 76.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.412 0.625 . . . . 50.0 110.188 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -65.37 -43.0 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 50.0 111.531 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.97 -28.76 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 O-C-N 121.768 -0.582 . . . . 50.0 111.471 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.98 -36.88 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.684 -0.858 . . . . 50.0 108.684 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.1 -36.73 82.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 50.0 111.289 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -76.35 -34.14 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.362 -0.935 . . . . 50.0 109.105 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.56 62.81 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.72 71.82 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.59 -34.91 62.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -46.93 72.88 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -67.22 -33.99 66.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.141 -0.623 . . . . 50.0 110.185 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.36 66.67 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.896 -0.409 . . . . 25.0 109.896 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -79.17 -55.53 5.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.094 0.775 . . . . 50.0 113.094 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -95.21 -44.57 7.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.37 -0.832 . . . . 25.0 113.006 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.48 -0.04 44.6 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.614 -0.434 . . . . 75.0 111.409 -171.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.45 -16.5 1.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.214 1.931 . . . . 50.0 116.214 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -84.53 9.68 12.94 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.581 0.752 . . . . 50.0 111.545 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -9.54 0.91 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.35 1.241 . . . . 50.0 114.35 176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -62.33 147.77 47.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 25.0 110.037 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -94.72 116.37 28.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.225 1.012 . . . . 50.0 109.414 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.312 -1.037 0 CA-C-N 113.408 -1.724 . . . . 25.0 114.861 -173.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.349 0 CA-C-O 120.293 -0.17 . . . . 25.0 112.684 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -74.02 150.05 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.52 0.676 . . . . 25.0 110.448 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -35.72 81.76 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.194 -0.669 . . . . 50.0 109.194 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -31.29 71.87 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.417 0.895 . . . . 50.0 113.417 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.24 -26.93 32.79 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.556 -0.715 . . . . 75.0 110.796 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.5 m -69.86 -22.65 63.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -54.3 45.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.428 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.0 ptp -61.8 -24.02 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.848 0.685 . . . . 50.0 112.848 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.36 -31.23 72.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.595 0.712 . . . . 50.0 110.378 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 p -75.77 -39.73 56.56 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -35.75 81.94 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 108.631 -0.877 . . . . 50.0 108.631 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.53 -41.49 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -43.64 78.47 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.259 0.35 . . . . 50.0 111.129 -175.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 m -86.79 -30.51 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 113.352 0.871 . . . . 50.0 113.352 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -70.51 -55.39 9.04 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 122.414 1.102 . . . . 50.0 110.856 -175.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -71.27 -14.42 62.22 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.949 -1.478 . . . . 50.0 111.245 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.13 85.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -103.67 -13.75 16.38 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.94 1.089 . . . . 50.0 113.94 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -61.55 147.71 44.57 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.193 -0.942 . . . . 25.0 110.309 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 -18.46 43.21 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.778 -0.929 . . . . 25.0 110.778 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.26 -30.59 71.64 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.668 0.271 . . . . 50.0 110.945 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.5 -25.95 57.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.702 0.763 . . . . 50.0 111.029 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.27 -25.99 5.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.167 -0.54 . . . . 50.0 112.963 -176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -117.33 152.72 34.33 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.531 0.682 . . . . 25.0 111.486 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -20.11 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -173.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -110.92 5.23 20.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 111.89 0.33 . . . . 50.0 111.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.5 149.53 43.77 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.601 0.715 . . . . 50.0 110.606 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -154.34 149.3 26.74 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.213 -1.403 . . . . 50.0 107.213 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 97.2 p -74.54 154.29 38.69 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.491 -0.484 . . . . 50.0 112.004 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -60.66 -46.28 90.94 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.292 -0.255 . . . . 50.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -55.41 -38.24 68.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.24 -39.7 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 50.0 110.937 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.67 -38.87 92.04 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.652 -0.703 . . . . 50.0 110.466 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -64.54 -32.65 74.38 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.231 -0.293 . . . . 50.0 110.751 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.26 -48.16 30.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 25.0 111.547 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.37 -28.13 63.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 50.0 110.917 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -48.34 78.23 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.733 -0.604 . . . . 50.0 110.222 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.57 -22.5 56.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.559 -0.713 . . . . 50.0 111.706 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -26.29 57.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.169 0.293 . . . . 25.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.46 -44.8 3.82 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.333 1.605 . . . . 50.0 115.333 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -61.28 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 -174.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m 41.98 32.04 0.27 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 117.132 2.271 . . . . 50.0 117.132 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.13 -57.7 0.06 OUTLIER Glycine 0 C--N 1.336 0.567 0 CA-C-O 122.639 1.133 . . . . 50.0 112.688 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -75.51 -10.02 59.08 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 115.009 1.485 . . . . 50.0 115.009 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -22.12 66.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.899 -1.501 . . . . 50.0 109.645 173.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.01 -36.87 8.44 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.46 -3.78 26.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 116.113 1.894 . . . . 25.0 116.113 -174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.88 145.33 44.91 Favored 'General case' 0 N--CA 1.392 -3.331 0 C-N-CA 123.095 0.558 . . . . 75.0 110.856 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -125.62 -28.18 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.801 0.297 . . . . 50.0 111.801 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.07 89.56 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.372 -0.973 . . . . 50.0 108.372 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.91 -34.25 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.201 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.24 -38.32 81.69 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.687 -0.805 . . . . 50.0 110.349 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -54.22 30.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.09 -36.39 76.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.903 -0.589 . . . . 50.0 111.021 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.1 -47.52 79.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.186 0.517 . . . . 50.0 110.764 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -70.84 -27.27 63.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.239 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -78.79 -44.81 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.571 -0.529 . . . . 50.0 109.571 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 43.2 mtm -61.99 -42.6 99.32 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 119.507 -0.877 . . . . 50.0 110.819 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -72.19 -28.97 63.55 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.969 -0.56 . . . . 50.0 111.646 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -67.89 -43.72 78.67 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.434 -1.691 . . . . 50.0 106.434 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -33.42 74.45 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.145 -0.934 . . . . 50.0 109.931 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -68.19 -34.27 75.98 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.581 -0.7 . . . . 25.0 112.51 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.86 -35.3 32.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.116 0.96 . . . . 50.0 110.506 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -102.13 7.6 40.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.374 -1.284 . . . . 50.0 113.057 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.25 -28.4 69.13 Favored Glycine 0 CA--C 1.503 -0.66 0 CA-C-N 115.952 -0.567 . . . . 25.0 114.512 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -0.65 34.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.28 -168.62 35.9 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 108.518 -1.833 . . . . 50.0 108.518 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -137.3 154.96 49.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.498 -1.351 . . . . 50.0 113.972 -171.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.48 -179.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 114.143 -1.39 . . . . 50.0 111.151 -171.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.98 -174.45 3.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.971 0.35 . . . . 50.0 110.894 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.96 -42.64 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.944 0.35 . . . . 50.0 111.944 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.28 -39.68 94.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.5 -31.99 70.58 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.508 -0.877 . . . . 50.0 110.987 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -64.65 -42.92 95.08 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.839 -0.744 . . . . 50.0 109.563 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -57.58 -42.74 81.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.932 -0.577 . . . . 50.0 112.482 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.85 -25.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 120.834 -1.166 . . . . 50.0 110.286 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.53 -28.53 67.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 50.0 109.918 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 m -84.02 -32.88 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 118.823 -1.151 . . . . 50.0 108.984 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.997 0.739 . . . . 25.0 112.997 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.96 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 25.0 109.7 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.29 -33.72 49.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.496 -0.32 . . . . 50.0 110.533 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -44.72 87.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.36 -33.9 62.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.794 -0.762 . . . . 50.0 109.48 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.71 -31.86 71.25 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 122.062 -0.399 . . . . 25.0 110.124 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.09 -49.68 13.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.947 0.721 . . . . 50.0 112.947 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -104.22 -40.32 6.18 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -21.07 63.11 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 122.061 -0.399 . . . . 75.0 110.367 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.447 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.3 OUTLIER -44.13 -22.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.897 2.184 . . . . 50.0 116.897 179.353 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.32 10.62 1.92 Allowed 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.635 -0.666 . . . . 50.0 112.28 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.447 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.02 -13.9 30.38 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.668 0.787 . . . . 50.0 111.405 171.047 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.04 142.97 57.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.648 0.737 . . . . 25.0 110.915 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -94.45 150.14 20.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.991 -0.549 . . . . 50.0 109.86 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.252 1.207 0 CA-C-O 115.747 -2.073 . . . . 25.0 106.168 176.214 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.612 -0.595 . . . . 25.0 111.612 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -106.4 158.91 16.54 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 122.97 0.508 . . . . 25.0 111.001 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -26.42 68.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.637 -0.505 . . . . 50.0 109.637 170.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -31.31 70.94 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.374 0.509 . . . . 50.0 112.374 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.15 -30.11 43.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.107 0.78 . . . . 50.0 113.107 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -21.91 62.89 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -54.63 32.93 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.48 -28.14 66.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.766 0.654 . . . . 50.0 112.766 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.99 -30.18 70.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.266 0.555 . . . . 50.0 110.649 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -74.46 -37.79 63.14 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.661 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -37.05 85.64 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.672 -0.862 . . . . 50.0 108.672 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.12 -38.92 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.13 -0.693 . . . . 50.0 109.13 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -46.21 74.87 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.977 0.173 . . . . 50.0 111.25 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -84.84 -31.66 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 112.491 0.552 . . . . 50.0 112.491 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.62 -55.98 14.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.404 1.097 . . . . 50.0 110.557 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -74.22 -15.99 60.98 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.756 -1.565 . . . . 50.0 111.25 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.64 81.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.621 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -100.01 -0.92 38.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 50.0 112.169 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -69.11 157.37 37.0 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.99 -3.85 58.74 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 114.934 -1.03 . . . . 25.0 112.67 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -68.31 -24.78 64.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.349 -0.501 . . . . 50.0 109.687 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.56 -27.44 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.516 0.674 . . . . 50.0 109.909 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.57 -30.14 4.31 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.505 -0.77 . . . . 50.0 111.827 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.04 155.88 23.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 112.178 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -77.26 -27.63 53.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.397 1.079 . . . . 25.0 112.723 -172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -103.93 9.09 36.85 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.471 -1.241 . . . . 50.0 110.822 -171.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -135.36 157.63 46.42 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-N 114.221 -1.354 . . . . 50.0 107.872 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -157.15 153.1 27.18 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 107.97 -1.122 . . . . 50.0 107.97 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -71.28 153.02 42.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.621 -0.511 . . . . 50.0 109.621 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -56.27 -41.86 76.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.486 -0.325 . . . . 50.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.65 -37.87 82.95 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -63.79 -38.14 89.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.444 0.64 . . . . 50.0 109.942 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.53 -37.07 84.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 50.0 110.575 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.93 -35.59 81.04 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.91 -46.45 44.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.77 -28.69 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.788 -0.57 . . . . 50.0 111.469 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.18 -43.93 96.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.797 -0.564 . . . . 50.0 109.79 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.03 -22.34 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.816 -0.754 . . . . 50.0 111.331 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -25.58 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.628 -0.429 . . . . 25.0 111.556 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.07 -45.22 4.58 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.866 1.061 . . . . 50.0 113.866 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -64.11 1.22 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.08 0.4 . . . . 50.0 112.08 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m 43.89 30.16 0.37 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.237 1.569 . . . . 50.0 115.237 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.28 -55.51 0.1 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.719 0.622 . . . . 50.0 113.241 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -20.92 62.77 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 113.833 1.049 . . . . 50.0 113.833 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -24.79 67.94 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.023 -0.99 . . . . 50.0 110.408 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -96.28 -21.96 17.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 122.74 1.257 . . . . 25.0 108.912 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.74 4.33 14.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.246 -1.343 . . . . 25.0 111.947 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -78.92 114.24 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 50.0 110.861 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.32 -26.81 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.298 -0.41 . . . . 50.0 110.436 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.53 94.76 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.53 0.681 . . . . 50.0 111.241 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.88 -33.69 63.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.133 -0.939 . . . . 50.0 111.383 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.8 -40.49 83.87 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.377 -0.929 . . . . 50.0 109.91 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.18 -50.15 67.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.314 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.9 -31.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.584 -0.447 . . . . 50.0 110.466 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.82 -25.32 58.94 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.889 -0.507 . . . . 50.0 111.291 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -83.54 -43.41 15.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.135 -0.353 . . . . 25.0 111.257 176.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.9 -37.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.323 0.861 . . . . 50.0 113.323 -172.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.4 mmm -64.26 -43.51 94.63 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.918 -1.113 . . . . 50.0 109.255 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 56' ' ' LYS . 18.8 pttp -70.38 -27.44 64.31 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 116.05 -0.523 . . . . 50.0 111.507 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -49.58 66.29 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -29.77 70.56 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.211 -0.904 . . . . 50.0 111.445 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.32 -34.2 74.29 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.604 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -88.94 -28.66 20.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.621 0.724 . . . . 50.0 112.552 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -108.13 6.87 27.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.968 -1.015 . . . . 50.0 113.091 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.0 -32.15 66.21 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.532 0.573 . . . . 25.0 114.532 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.33 6.74 28.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.86 -160.56 35.05 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.311 -1.916 . . . . 50.0 108.311 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.51 145.44 51.16 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.967 0.728 . . . . 50.0 112.967 -173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -147.84 177.1 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 115.812 -0.631 . . . . 50.0 110.422 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.65 -174.21 3.24 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.211 -0.306 . . . . 50.0 110.793 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.16 -41.47 75.5 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -65.85 -39.22 90.57 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.16 -29.33 67.32 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.407 -0.808 . . . . 50.0 110.804 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -68.94 -41.55 77.92 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.434 -0.791 . . . . 50.0 108.996 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -38.62 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.495 -0.775 . . . . 50.0 111.875 175.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.58 -40.16 79.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 50.0 108.663 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.79 -35.51 80.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.71 -0.677 . . . . 50.0 112.048 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.36 -34.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.403 -0.919 . . . . 50.0 108.982 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -20.58 61.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.017 -0.427 . . . . 25.0 111.621 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.24 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.381 0.61 . . . . 25.0 109.368 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.58 -37.27 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -43.51 75.42 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.977 -178.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.39 -33.21 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.487 -0.885 . . . . 50.0 110.18 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.96 -25.0 61.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 120.103 -0.639 . . . . 25.0 109.344 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.6 t -84.27 -48.56 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -109.95 -35.61 6.1 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.039 1.496 . . . . 25.0 115.039 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -20.8 61.75 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.523 -0.547 . . . . 75.0 109.523 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.437 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 2.7 t80 -42.59 -20.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.558 2.059 . . . . 50.0 116.558 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -79.14 10.73 3.29 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.588 -0.695 . . . . 50.0 112.499 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.437 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -62.69 -17.57 60.87 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.05 0.94 . . . . 50.0 111.787 172.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.79 -178.92 4.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -82.84 77.82 9.53 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 124.58 2.133 . . . . 50.0 108.067 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.3 -1.582 0 CA-C-N 109.77 -3.377 . . . . 25.0 109.928 -178.466 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.346 0 N-CA-C 112.238 -0.345 . . . . 25.0 112.238 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -74.0 158.19 34.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.359 0.599 . . . . 25.0 110.181 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.05 -36.67 83.87 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.648 -0.657 . . . . 50.0 110.081 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -31.96 73.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.927 1.084 . . . . 50.0 113.927 -175.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.23 -30.51 54.58 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.491 -0.756 . . . . 75.0 111.669 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 m -71.27 -20.34 62.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.46 -56.27 18.34 Favored 'General case' 0 N--CA 1.442 -0.853 0 O-C-N 121.394 -0.816 . . . . 25.0 112.219 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -60.38 -26.36 66.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.928 0.714 . . . . 50.0 112.928 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -63.84 -32.84 74.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.336 0.589 . . . . 50.0 110.632 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.2 p -74.2 -39.14 63.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.414 -0.514 . . . . 25.0 111.056 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -37.62 88.25 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.45 -40.87 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -45.62 72.66 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.975 0.172 . . . . 50.0 111.349 -177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.3 -31.07 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.947 0.721 . . . . 50.0 112.947 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.66 -57.5 7.95 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 122.475 1.131 . . . . 50.0 110.749 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -19.81 63.52 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.88 -1.509 . . . . 50.0 110.689 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.8 94.37 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.234 -0.587 . . . . 25.0 110.797 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -97.08 -0.99 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.44 -0.346 . . . . 50.0 111.604 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -65.42 152.79 43.05 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.33 -7.48 54.23 Favored Glycine 0 C--O 1.222 -0.62 0 CA-C-N 115.39 -0.823 . . . . 25.0 113.031 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -67.92 -19.51 65.0 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.564 -0.374 . . . . 50.0 111.118 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.31 -26.37 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.418 0.627 . . . . 50.0 110.731 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -28.91 4.62 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 50.0 111.047 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -121.03 157.39 30.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 171.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -93.26 -15.32 25.97 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -90.44 6.17 44.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.825 1.298 . . . . 50.0 108.617 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -134.51 159.37 41.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.025 -1.898 . . . . 50.0 107.388 -173.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -158.81 149.47 19.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.606 -1.257 . . . . 50.0 107.606 171.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.0 p -70.59 151.2 45.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -56.06 -41.39 75.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 50.0 111.449 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -59.66 -38.84 82.55 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.52 -38.56 91.6 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.335 0.588 . . . . 50.0 109.787 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.47 -37.54 85.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.839 -0.619 . . . . 50.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.989 -0.445 . . . . 50.0 110.365 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.91 -45.34 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.853 -0.158 . . . . 25.0 111.007 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.44 -29.41 64.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.725 -0.61 . . . . 50.0 110.664 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.37 -42.04 98.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.615 -0.678 . . . . 50.0 110.112 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.53 -22.65 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.107 -0.637 . . . . 50.0 110.333 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -32.47 55.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.745 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -101.24 -45.27 5.41 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.447 1.647 . . . . 50.0 115.447 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 -66.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.169 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.85 34.59 0.28 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.008 1.484 . . . . 50.0 115.008 -173.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.9 -56.69 0.08 OUTLIER Glycine 0 C--O 1.222 -0.607 0 CA-C-O 121.507 0.504 . . . . 50.0 113.377 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -23.2 63.94 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.557 0.947 . . . . 50.0 113.557 -173.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -23.64 66.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.841 -1.072 . . . . 50.0 110.661 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -106.73 5.51 28.8 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.349 1.071 . . . . 25.0 109.583 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.44 5.59 27.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.231 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.57 121.05 24.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.994 -0.548 . . . . 75.0 110.38 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -92.72 -30.1 15.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.537 . . . . 50.0 110.584 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -74.4 99.37 3.5 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.281 0.562 . . . . 50.0 112.074 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.94 -34.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.558 -0.746 . . . . 50.0 112.339 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.64 -37.79 76.9 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.22 -0.992 . . . . 50.0 109.703 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.35 61.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.56 -36.14 76.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.407 -0.517 . . . . 50.0 110.812 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.65 -45.29 79.49 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.729 -0.388 . . . . 50.0 110.575 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -77.18 -31.55 55.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -82.63 -39.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.731 -0.213 . . . . 50.0 111.329 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -66.32 -41.32 89.82 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 118.807 -1.157 . . . . 50.0 108.717 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.46 62.49 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.222 0.453 . . . . 50.0 112.222 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.03 -52.05 12.03 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 105.954 -1.869 . . . . 50.0 105.954 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -34.74 78.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.21 -0.904 . . . . 50.0 111.376 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -88.18 -30.53 19.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.72 0.771 . . . . 50.0 112.203 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -103.03 8.21 38.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 50.0 112.712 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.15 64.97 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 114.597 0.599 . . . . 25.0 114.597 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -84.06 5.35 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.989 0.395 . . . . 25.0 111.858 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.94 -159.6 34.68 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.909 -1.676 . . . . 50.0 108.909 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.38 147.48 51.79 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 -173.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.11 175.78 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -126.66 -174.12 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.76 -42.41 83.96 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.991 0.367 . . . . 50.0 111.991 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.617 -0.512 . . . . 50.0 109.617 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.41 -27.21 66.0 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.652 -0.419 . . . . 50.0 110.788 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -68.08 -42.14 80.82 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.809 -0.756 . . . . 50.0 109.191 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.63 -35.11 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.271 -0.422 . . . . 50.0 110.109 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.93 -39.54 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.537 -0.727 . . . . 50.0 109.338 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.45 -36.06 82.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.755 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.64 -31.88 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 119.325 -0.95 . . . . 50.0 108.872 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.12 -20.75 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.819 -0.551 . . . . 25.0 112.338 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.58 72.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.18 -35.66 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -66.72 -46.78 74.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.49 -35.02 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.055 -0.658 . . . . 50.0 109.652 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.3 -26.28 55.68 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.909 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 t -86.45 -44.13 12.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.698 0.629 . . . . 50.0 112.698 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -116.91 -34.81 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -77.88 -15.89 58.68 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.245 -0.407 . . . . 75.0 111.113 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.55 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 3.7 p90 -46.16 -15.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 117.056 2.243 . . . . 50.0 117.056 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.65 10.92 2.84 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 123.777 0.831 . . . . 50.0 111.131 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.55 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.68 -17.41 55.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 50.0 112.088 177.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.46 139.84 57.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -73.66 130.31 39.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.272 -0.571 . . . . 50.0 109.492 -175.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 115.937 -1.983 . . . . 25.0 105.938 179.313 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.803 0 N-CA-C 110.989 -0.844 . . . . 25.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -89.33 152.12 21.71 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -28.87 70.28 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.823 -0.351 . . . . 50.0 110.305 174.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -27.3 69.19 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.172 0.434 . . . . 50.0 112.172 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.43 -34.3 58.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 121.535 0.684 . . . . 50.0 112.016 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -22.48 62.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.567 0.699 . . . . 25.0 109.361 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.06 4.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.979 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.1 -27.28 65.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.365 0.876 . . . . 50.0 113.365 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.59 -32.89 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.418 0.627 . . . . 50.0 110.933 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p -75.54 -36.95 60.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.01 0.433 . . . . 25.0 111.37 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -38.44 90.57 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.519 -1.289 . . . . 50.0 107.519 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.53 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.629 -0.508 . . . . 50.0 109.629 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -47.44 72.11 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 119.754 -0.165 . . . . 50.0 111.285 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG21 ' HH ' ' A' ' 74' ' ' TYR . 34.3 m -83.64 -31.24 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.383 0.611 . . . . 50.0 112.392 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.87 -56.73 11.65 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.641 1.21 . . . . 50.0 110.927 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.31 -18.04 61.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.874 -1.512 . . . . 50.0 111.117 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.07 91.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.071 -0.651 . . . . 25.0 109.671 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -95.11 -4.5 46.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -61.95 154.88 25.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.23 -2.76 43.68 Favored Glycine 0 C--O 1.222 -0.615 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.186 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -66.16 -33.65 76.26 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.318 0.58 . . . . 50.0 109.788 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -77.25 -29.47 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.722 -1.126 . . . . 50.0 110.991 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -30.83 4.1 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.149 -0.78 . . . . 50.0 111.149 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.43 166.34 11.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.242 0.544 . . . . 25.0 109.8 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -84.23 -35.25 23.58 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 123.54 0.736 . . . . 25.0 111.98 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.85 5.02 52.31 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.551 1.167 . . . . 50.0 109.357 -169.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -128.57 152.51 48.23 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 113.372 -1.74 . . . . 50.0 106.774 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mt -153.64 159.23 42.02 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 105.666 -1.976 . . . . 50.0 105.666 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.3 p -82.35 151.28 26.76 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.085 -0.646 . . . . 50.0 109.414 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -57.65 -40.92 80.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.64 0.257 . . . . 50.0 110.857 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -57.84 -37.1 73.27 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.889 0.7 . . . . 50.0 112.889 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -67.42 -41.34 84.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.475 0.655 . . . . 50.0 109.896 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.79 -38.27 90.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 50.0 110.774 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.21 -41.0 87.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.009 0.433 . . . . 50.0 111.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.79 -37.73 24.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.964 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.0 -31.42 70.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.781 -0.768 . . . . 50.0 109.484 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.71 -47.34 84.04 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.909 -0.494 . . . . 50.0 109.883 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -75.87 -22.41 56.21 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.033 -0.667 . . . . 50.0 111.56 -175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -28.78 31.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.06 -40.47 9.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.173 0.511 . . . . 50.0 112.212 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.88 -62.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.723 -0.671 . . . . 50.0 111.177 -176.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 49.28 23.09 0.76 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.698 1.74 . . . . 50.0 115.698 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.54 -57.2 0.11 Allowed Glycine 0 C--O 1.226 -0.373 0 CA-C-O 122.009 0.783 . . . . 50.0 112.829 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.23 -18.56 62.45 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 114.054 1.131 . . . . 50.0 114.054 -173.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -25.79 68.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.177 -0.92 . . . . 50.0 109.455 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -99.02 -21.42 16.23 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.372 1.082 . . . . 25.0 109.143 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.83 -12.65 61.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.014 -0.994 . . . . 25.0 110.994 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.06 142.18 58.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 50.0 110.906 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -125.48 -25.92 3.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.751 0.42 . . . . 50.0 111.653 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -73.13 97.2 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.913 0.387 . . . . 50.0 111.295 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.89 -34.02 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 122.979 0.511 . . . . 50.0 111.667 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.06 -41.6 81.75 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.063 -1.055 . . . . 50.0 109.799 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.72 68.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.692 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.79 -33.44 61.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.287 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.15 -39.27 68.89 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.886 -0.413 . . . . 50.0 109.886 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -37.38 70.84 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.73 -42.11 20.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.025 -0.534 . . . . 50.0 111.11 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.46 -37.18 86.1 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.345 -0.942 . . . . 50.0 109.575 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -25.08 60.46 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 120.373 -0.531 . . . . 50.0 112.152 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -73.58 -48.16 34.91 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.386 -1.709 . . . . 50.0 106.386 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -31.57 72.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.329 -0.85 . . . . 50.0 110.958 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -35.68 81.89 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.444 -0.785 . . . . 25.0 112.101 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.34 -29.76 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.565 0.698 . . . . 50.0 112.102 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.63 3.06 26.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.672 0.989 . . . . 50.0 113.672 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -28.72 67.43 Favored Glycine 0 CA--C 1.505 -0.578 0 CA-C-N 116.217 -0.447 . . . . 25.0 113.402 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -1.76 44.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.28 34.25 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 109.156 -1.578 . . . . 50.0 109.156 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.47 145.71 45.06 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.144 -1.528 . . . . 50.0 112.926 -170.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.1 -178.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.726 -1.125 . . . . 50.0 110.003 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.75 -174.26 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.428 0.291 . . . . 50.0 110.881 -173.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.711 0.634 . . . . 50.0 112.711 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -66.27 -40.58 90.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.453 -0.573 . . . . 50.0 109.453 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.238 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.416 ' HH ' HG21 ' A' ' 14' ' ' VAL . 23.0 t80 -66.69 -42.9 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.716 -0.615 . . . . 50.0 110.308 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.97 -29.1 46.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 122.026 -0.421 . . . . 50.0 111.569 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.04 -41.51 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.27 -34.91 78.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 50.0 111.994 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.84 -34.26 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 119.425 -0.91 . . . . 50.0 109.579 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.8 -20.73 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.799 -0.563 . . . . 25.0 111.832 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.44 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.357 0.599 . . . . 25.0 109.518 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.99 -37.72 72.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -44.46 78.19 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.87 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.23 -32.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.659 -0.817 . . . . 50.0 110.654 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.52 59.91 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 121.939 -0.476 . . . . 25.0 110.263 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -83.89 -53.39 5.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.04 0.756 . . . . 50.0 113.04 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -101.55 -43.75 5.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.277 1.214 . . . . 25.0 114.277 -170.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -20.96 64.02 Favored 'General case' 0 C--O 1.208 -1.079 0 N-CA-C 109.445 -0.576 . . . . 75.0 109.445 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 83.4 t80 -41.68 -24.21 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 117.593 2.442 . . . . 50.0 117.593 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -81.44 12.43 3.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.732 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.445 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.63 -24.22 46.59 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.081 0.953 . . . . 50.0 111.139 174.578 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.59 143.07 40.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.251 0.548 . . . . 25.0 110.171 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.29 128.7 36.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.583 0.706 . . . . 50.0 110.52 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.17 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -71.41 146.41 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.658 0.729 . . . . 25.0 110.138 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.431 -0.793 . . . . 50.0 108.957 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -27.89 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.029 -0.532 . . . . 50.0 112.42 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.04 -29.7 31.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 120.013 -0.675 . . . . 75.0 111.228 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.4 m -67.23 -22.22 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -55.85 27.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.892 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.6 ptp -62.36 -25.25 67.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.431 0.53 . . . . 50.0 112.431 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.38 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.61 0.719 . . . . 50.0 110.658 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 p -74.98 -38.46 61.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.888 -0.508 . . . . 25.0 111.204 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -36.92 84.2 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.202 -1.036 . . . . 50.0 108.202 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.12 -40.75 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -45.48 73.92 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.044 0.215 . . . . 50.0 111.381 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.4 HG21 ' HH ' ' B' ' 74' ' ' TYR . 32.2 m -85.58 -31.24 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.518 0.562 . . . . 50.0 112.518 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.48 -56.11 10.87 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 122.275 1.036 . . . . 50.0 111.876 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -69.52 -18.95 63.72 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.133 -1.394 . . . . 50.0 110.41 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.28 86.06 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.349 -0.54 . . . . 25.0 110.134 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -103.71 2.5 33.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.585 0.587 . . . . 50.0 112.585 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 97.5 p -64.64 155.9 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.539 0.685 . . . . 25.0 112.491 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.05 66.15 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.526 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -60.95 -29.73 69.81 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.788 -0.242 . . . . 50.0 110.726 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -112.2 41.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.898 2.285 . . . . 50.0 115.137 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.85 -30.72 6.75 Favored Glycine 0 C--N 1.289 -2.044 0 CA-C-N 112.558 -2.11 . . . . 50.0 116.317 167.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.51 153.86 48.39 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -18.87 62.38 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 115.292 1.59 . . . . 25.0 115.292 -174.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -112.74 9.04 19.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.495 0.664 . . . . 50.0 110.28 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -123.13 152.89 40.68 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -157.54 148.1 21.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.859 -1.904 . . . . 50.0 105.859 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -81.15 153.51 27.21 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.339 0.59 . . . . 50.0 111.694 -176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.52 -39.34 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.513 -0.767 . . . . 50.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -55.98 -41.76 75.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.522 0.564 . . . . 50.0 112.522 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.85 -39.83 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.364 0.602 . . . . 50.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.54 -38.04 88.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.138 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -62.19 -38.53 89.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.263 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.26 -39.21 49.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.718 -0.393 . . . . 25.0 112.055 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.29 -30.11 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.649 -0.82 . . . . 50.0 110.475 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.95 -43.01 97.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.825 -0.547 . . . . 50.0 110.452 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -78.41 -22.47 47.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.891 -0.506 . . . . 50.0 110.885 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -28.32 29.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -99.28 -45.27 5.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.341 1.237 . . . . 50.0 114.341 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -61.19 1.72 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.173 -0.467 . . . . 50.0 111.253 -175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.25 30.71 2.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.306 1.595 . . . . 50.0 115.306 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.27 -47.58 0.08 OUTLIER Glycine 0 C--O 1.217 -0.958 0 CA-C-O 122.435 1.019 . . . . 50.0 113.718 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.34 -18.43 61.18 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 120.628 -1.513 . . . . 50.0 113.333 -176.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -24.19 67.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.171 -0.922 . . . . 50.0 110.072 176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.14 -13.36 14.38 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 122.147 0.975 . . . . 25.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.89 -9.7 58.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.394 177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.69 142.44 58.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.91 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -122.9 -25.86 4.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.576 0.35 . . . . 50.0 111.059 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -72.3 106.29 4.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 50.0 111.502 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.11 -33.94 67.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.38 -0.827 . . . . 50.0 111.966 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ2' ' B' ' 56' ' ' LYS . 11.2 t70 -69.78 -37.17 76.27 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.577 -0.849 . . . . 50.0 109.948 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.45 57.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.61 -37.68 80.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.33 -0.548 . . . . 50.0 110.311 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.26 -43.13 78.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.763 -0.585 . . . . 50.0 112.149 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.402 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 1.9 mptm? -76.68 -35.18 58.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.771 0.285 . . . . 25.0 111.771 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.13 -36.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.087 0.403 . . . . 50.0 112.087 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 38.6 mmt -69.25 -36.14 76.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.443 -1.303 . . . . 50.0 109.334 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -71.2 -29.46 65.18 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.819 -0.753 . . . . 50.0 110.392 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -46.03 67.2 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 -175.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -28.77 70.21 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.589 -0.732 . . . . 50.0 111.132 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.86 -38.77 76.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.225 0.536 . . . . 25.0 111.586 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.43 -36.41 45.6 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.205 1.002 . . . . 50.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -105.06 5.43 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.998 -1.456 . . . . 50.0 113.942 -168.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.02 -34.1 71.36 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.219 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.64 4.27 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.16 -160.9 36.97 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 108.037 -2.025 . . . . 50.0 108.037 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 147.46 38.24 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.288 0.566 . . . . 50.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.65 -178.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.771 -1.104 . . . . 50.0 108.564 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.49 -174.03 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 50.0 110.705 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.32 -41.4 79.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.7 -39.83 94.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.462 . . . . 50.0 109.754 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.28 -31.54 71.06 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.467 -0.493 . . . . 50.0 110.685 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.4 ' HH ' HG21 ' B' ' 14' ' ' VAL . 18.6 t80 -68.29 -40.76 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.722 0.773 . . . . 50.0 108.929 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.1 t -59.87 -37.47 72.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.555 -0.748 . . . . 50.0 111.376 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.52 -38.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.33 -36.56 84.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.296 -0.411 . . . . 50.0 112.04 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.3 -32.43 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 119.37 -0.932 . . . . 50.0 109.128 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.73 -20.68 60.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.84 74.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.82 -36.87 70.35 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -45.38 75.28 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.81 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.22 -32.34 53.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.88 -0.728 . . . . 50.0 110.527 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.84 66.38 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.9 t -83.33 -51.54 7.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -107.83 -32.83 7.45 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.721 1.749 . . . . 25.0 115.721 -168.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -16.0 59.46 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 121.683 -0.636 . . . . 75.0 109.424 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -40.72 -20.72 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 117.323 2.342 . . . . 50.0 117.323 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -81.79 9.75 7.44 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.884 -0.51 . . . . 50.0 112.274 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -12.09 17.55 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.044 1.128 . . . . 50.0 114.044 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.19 150.58 43.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.545 0.688 . . . . 25.0 111.646 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -77.89 133.85 38.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.811 -0.631 . . . . 50.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.251 1.158 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 178.606 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.333 0 N-CA-C 111.547 -0.621 . . . . 25.0 111.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -105.71 -175.54 2.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -25.87 20.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.685 0.994 . . . . 50.0 113.685 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.22 71.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.86 -22.52 36.91 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.601 -0.687 . . . . 50.0 112.103 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -22.06 62.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.43 0.633 . . . . 25.0 109.92 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.61 -57.06 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -32.2 65.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.608 0.595 . . . . 50.0 112.608 -177.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.98 -35.18 72.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.105 0.409 . . . . 50.0 112.105 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.1 p -72.93 -38.64 66.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 25.0 110.854 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -38.45 89.28 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.307 -0.997 . . . . 50.0 108.307 176.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.6 -40.79 85.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -46.54 74.11 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.958 0.161 . . . . 50.0 111.395 -178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.05 -29.65 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 112.872 0.693 . . . . 50.0 112.872 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.33 -57.41 6.68 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.444 1.116 . . . . 50.0 110.319 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.54 -16.43 62.88 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.865 -1.516 . . . . 50.0 111.634 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.32 89.75 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.448 -0.501 . . . . 25.0 109.809 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -99.8 -6.51 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.054 0.761 . . . . 50.0 113.054 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.402 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 56.6 m -63.46 149.8 45.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -173.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.65 -10.31 57.49 Favored Glycine 0 N--CA 1.458 0.149 0 CA-C-N 114.667 -1.151 . . . . 25.0 112.71 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -61.63 -27.08 68.4 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.173 -0.306 . . . . 50.0 110.173 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -116.46 42.08 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 125.091 2.377 . . . . 50.0 114.381 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.09 -30.87 6.33 Favored Glycine 0 C--N 1.291 -1.918 0 CA-C-N 112.408 -2.178 . . . . 50.0 117.389 165.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -129.55 158.82 38.2 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -68.05 -29.47 68.44 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 125.498 1.519 . . . . 25.0 113.88 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -109.94 11.21 24.18 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.128 0.966 . . . . 50.0 110.576 -174.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -130.21 155.13 46.78 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 114.009 -1.451 . . . . 50.0 107.831 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 19' ' ' SER . 3.7 mt -153.79 169.26 23.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 105.122 -2.177 . . . . 50.0 105.122 177.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -97.25 155.36 16.89 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.403 -0.592 . . . . 50.0 109.403 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -56.94 -41.03 77.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 50.0 111.254 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -54.08 -40.1 66.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 113.286 0.847 . . . . 50.0 113.286 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -69.47 -40.01 77.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.432 0.634 . . . . 50.0 110.576 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.6 -36.97 85.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 50.0 110.726 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.98 -37.9 84.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.564 -0.289 . . . . 50.0 110.661 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -80.31 -43.11 21.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.95 -29.85 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.463 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.36 -48.23 76.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -76.44 -22.63 54.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.647 -0.658 . . . . 50.0 111.659 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -28.42 54.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -100.23 -45.39 5.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.553 0.692 . . . . 50.0 112.107 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -60.32 2.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 50.0 110.406 -174.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.04 23.0 0.45 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.158 1.54 . . . . 50.0 115.158 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.34 -57.22 0.11 Allowed Glycine 0 C--O 1.227 -0.301 0 CA-C-O 121.799 0.666 . . . . 50.0 112.736 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -18.96 62.89 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 114.016 1.117 . . . . 50.0 114.016 -173.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -25.39 68.3 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.23 -0.895 . . . . 50.0 109.595 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -101.42 -16.61 16.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.893 1.33 . . . . 25.0 109.181 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.88 -12.67 61.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.558 -1.201 . . . . 25.0 110.486 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.98 124.98 23.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.408 -0.36 . . . . 50.0 111.227 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -113.3 -20.57 11.33 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.606 0.362 . . . . 50.0 111.108 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -76.0 94.9 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.396 0.617 . . . . 50.0 111.276 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.27 -34.72 65.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.608 -0.724 . . . . 50.0 111.007 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.48 -31.34 71.42 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.188 0.518 . . . . 50.0 110.889 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.66 -53.81 7.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.374 . . . . 25.0 110.021 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.14 -33.85 63.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 C-N-CA 120.548 -0.461 . . . . 50.0 112.026 -173.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.24 -39.14 92.3 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.739 -0.601 . . . . 50.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -35.38 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.4 -38.08 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.102 0.408 . . . . 50.0 112.102 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.07 -36.02 77.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 118.605 -1.238 . . . . 50.0 109.762 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -70.95 -30.07 66.27 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.226 -0.59 . . . . 50.0 110.28 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.25 -45.7 69.1 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 107.018 -1.475 . . . . 50.0 107.018 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -30.68 71.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.781 -0.645 . . . . 50.0 110.836 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.5 -37.88 77.37 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.067 -0.396 . . . . 25.0 111.711 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.53 -13.49 32.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -117.78 8.55 12.74 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.276 0.843 . . . . 50.0 113.276 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.18 65.03 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.541 -0.299 . . . . 25.0 113.836 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.78 2.64 41.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.09 -171.74 46.77 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 107.061 -2.416 . . . . 50.0 107.061 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.99 148.54 50.09 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.819 1.044 . . . . 50.0 113.819 -172.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.0 174.93 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.358 -1.292 . . . . 50.0 109.964 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.42 -174.09 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.482 -0.562 . . . . 50.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -57.42 -37.19 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.793 0.664 . . . . 50.0 112.793 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -67.86 -38.71 83.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 50.0 110.134 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.54 -30.04 66.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.754 -0.591 . . . . 50.0 110.075 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.78 -44.68 73.14 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.199 -0.938 . . . . 50.0 110.565 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -31.54 53.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.848 -0.532 . . . . 50.0 111.774 -177.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.87 -27.21 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 121.315 -0.866 . . . . 50.0 109.937 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.02 -28.81 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.024 -0.362 . . . . 50.0 110.024 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -83.62 -32.1 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 118.771 -1.171 . . . . 50.0 109.245 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -20.69 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.136 -0.352 . . . . 25.0 110.896 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.81 76.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.431 0.634 . . . . 25.0 109.74 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -70.76 -38.09 73.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -45.42 77.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 115.562 -0.745 . . . . 25.0 111.524 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.9 m -70.32 -31.11 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.44 -0.904 . . . . 50.0 111.071 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.43 60.81 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.273 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 t -91.32 -48.94 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -108.01 -45.76 3.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -169.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -67.95 -20.42 65.06 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 108.721 -0.844 . . . . 75.0 108.721 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 80.5 t80 -41.23 -21.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 117.807 2.521 . . . . 50.0 117.807 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 59.9 m-85 -85.13 12.05 8.59 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.679 -0.692 . . . . 50.0 111.584 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -58.56 -7.1 0.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.325 1.45 . . . . 50.0 113.969 173.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.64 112.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.435 1.112 . . . . 25.0 111.978 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.46 137.42 39.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.008 -0.996 . . . . 50.0 109.716 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -177.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.435 0 N-CA-C 109.64 -1.384 . . . . 25.0 109.64 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -105.57 161.23 14.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.11 -28.65 42.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.534 0.939 . . . . 50.0 113.534 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.53 -26.84 45.87 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.501 -0.749 . . . . 75.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -65.84 -22.16 66.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.4 19.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -60.47 -25.79 66.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.522 0.564 . . . . 50.0 112.522 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -63.16 -32.97 74.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.712 0.768 . . . . 50.0 110.866 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 44.6 p -75.28 -39.1 60.03 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.925 -0.485 . . . . 25.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.9 -37.09 83.72 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 108.169 -1.048 . . . . 50.0 108.169 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -59.24 -43.04 88.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -44.1 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.516 0.51 . . . . 50.0 111.627 -176.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.421 HG21 ' HH ' ' B' ' 74' ' ' TYR . 23.0 m -86.82 -32.13 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 113.02 0.748 . . . . 50.0 113.02 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.24 -57.79 6.05 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.712 1.244 . . . . 50.0 110.59 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -72.27 -16.06 61.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.676 -1.602 . . . . 50.0 112.176 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.82 85.21 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 25.0 109.933 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -103.92 -2.3 26.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.257 0.836 . . . . 50.0 113.257 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.74 154.01 40.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 -8.33 34.65 Favored Glycine 0 C--O 1.223 -0.562 0 CA-C-N 115.049 -0.978 . . . . 25.0 112.754 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.81 -18.21 62.1 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -28.51 32.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.827 0.822 . . . . 50.0 108.878 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.62 -30.81 3.91 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.346 -0.843 . . . . 50.0 112.797 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.77 155.04 20.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.394 1.097 . . . . 25.0 111.136 170.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -12.49 59.46 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -172.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 19.6 m-85 -110.36 14.74 22.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.926 0.869 . . . . 50.0 109.291 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.48 158.32 44.66 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.683 -1.144 . . . . 50.0 108.568 -172.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -153.29 163.52 39.75 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 108.002 -1.11 . . . . 50.0 108.002 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.4 p -88.58 152.64 21.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.031 -1.1 . . . . 50.0 108.031 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.14 -41.99 80.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 50.0 111.474 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -58.06 -34.67 70.37 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.733 1.012 . . . . 50.0 113.733 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -67.3 -38.48 85.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.561 0.696 . . . . 50.0 110.636 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.87 -36.47 84.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.395 -0.821 . . . . 50.0 110.097 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 ttpp -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.889 -0.141 . . . . 50.0 110.783 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.03 -44.33 31.21 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.389 -0.525 . . . . 25.0 112.226 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.71 -31.71 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.011 -0.676 . . . . 50.0 110.394 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.65 96.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.091 -0.38 . . . . 50.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -79.25 -22.48 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.732 . . . . 50.0 111.049 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -32.74 37.36 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.281 0.363 . . . . 25.0 111.452 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.79 -44.24 8.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.963 0.887 . . . . 50.0 113.367 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.56 -65.52 1.0 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.424 -0.807 . . . . 50.0 111.804 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.3 37.18 1.84 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.895 1.072 . . . . 50.0 113.895 -177.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.47 -45.3 0.06 OUTLIER Glycine 0 C--O 1.225 -0.426 0 N-CA-C 111.743 -0.543 . . . . 50.0 111.743 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -15.97 62.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.921 -0.752 . . . . 50.0 112.982 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -21.46 64.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.23 -0.895 . . . . 50.0 110.436 175.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.21 -31.05 10.3 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.667 1.222 . . . . 25.0 109.998 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 -28.17 66.61 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.999 -1.0 . . . . 25.0 113.353 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.68 138.35 58.34 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.706 -0.679 . . . . 75.0 111.15 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -119.61 -31.5 4.55 Favored 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 123.328 0.651 . . . . 50.0 112.388 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -75.64 92.48 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.071 0.463 . . . . 50.0 110.12 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.88 -33.94 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.68 -38.54 80.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.619 -0.833 . . . . 50.0 110.637 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.56 44.19 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.93 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.755 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.71 -43.73 88.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.458 . . . . 50.0 110.429 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -71.79 -30.06 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.051 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.12 -41.9 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 110.171 -0.307 . . . . 50.0 110.171 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -64.72 -39.31 93.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.347 -0.846 . . . . 50.0 110.796 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -26.65 61.4 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 119.756 -0.778 . . . . 50.0 111.299 177.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -46.85 72.5 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.982 -1.859 . . . . 50.0 105.982 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -26.0 68.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.892 -1.049 . . . . 50.0 111.811 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.98 -39.79 69.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.53 0.681 . . . . 25.0 111.238 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -79.87 -34.93 38.79 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.326 1.06 . . . . 50.0 110.955 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -105.91 6.21 31.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.061 -1.427 . . . . 50.0 113.391 -169.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.23 -32.5 63.61 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 114.24 0.456 . . . . 25.0 114.24 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -82.51 1.03 39.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.94 -162.76 37.97 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 108.7 -1.76 . . . . 50.0 108.7 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.68 149.94 51.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.835 0.679 . . . . 50.0 112.835 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.95 174.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.506 -1.225 . . . . 50.0 109.486 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -128.93 -173.96 3.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.848 -0.797 . . . . 50.0 108.848 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.65 -40.54 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -61.98 -42.83 99.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.936 -0.306 . . . . 50.0 110.469 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.09 -30.4 70.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.749 -0.381 . . . . 50.0 110.746 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.421 ' HH ' HG21 ' B' ' 14' ' ' VAL . 17.8 t80 -67.31 -41.52 85.21 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.034 -0.666 . . . . 50.0 109.472 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.88 -37.48 76.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 50.0 111.663 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.7 -38.15 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.83 -37.38 87.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.235 -0.439 . . . . 50.0 111.987 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -75.84 -29.27 19.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 119.593 -0.843 . . . . 50.0 109.462 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.68 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.049 -0.407 . . . . 25.0 111.882 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.22 70.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.57 -34.34 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 50.0 109.407 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -66.36 -45.84 78.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.818 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.5 -33.55 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.27 -0.572 . . . . 50.0 109.64 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.09 -29.59 68.57 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.313 -0.242 . . . . 25.0 110.399 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.22 -51.02 7.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.09 0.774 . . . . 50.0 113.09 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -103.81 -34.71 8.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.959 1.466 . . . . 25.0 114.959 -169.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -16.84 60.74 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 109.378 -0.601 . . . . 75.0 109.378 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -40.84 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.978 2.214 . . . . 50.0 116.978 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.54 11.08 2.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.805 0.669 . . . . 50.0 112.805 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -15.74 33.49 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.494 0.718 . . . . 50.0 112.565 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.43 123.61 22.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.72 129.45 40.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 50.0 111.293 -170.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.252 1.223 0 CA-C-O 115.987 -1.958 . . . . 25.0 106.577 178.257 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.78 -24.28 67.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.098 0.475 . . . . 25.0 110.363 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -28.93 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.543 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.06 -30.2 31.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.98 66.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.155 0.978 . . . . 25.0 108.887 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.1 -56.19 22.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.293 -177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.401 ' H ' ' HG2' ' A' ' 8' ' ' MET . 13.4 ptp -60.65 -26.77 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.32 -34.11 76.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.194 0.521 . . . . 25.0 110.647 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 38.0 p -72.74 -38.0 67.55 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.296 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -38.05 88.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.51 -40.14 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.58 -47.51 73.23 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 122.873 0.108 . . . . 25.0 111.09 -178.277 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' ND2' ' A' ' 13' ' ' ASN . 35.5 m -83.89 -31.6 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.186 0.517 . . . . 25.0 111.795 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.85 -59.54 3.44 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.347 1.07 . . . . 25.0 110.218 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.31 -18.43 64.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.872 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.65 76.95 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -98.37 -12.42 21.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.463 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -64.99 155.78 33.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.704 1.742 . . . . 25.0 115.704 -171.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.35 40.39 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 114.564 -1.198 . . . . 25.0 112.283 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.95 -30.89 71.92 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.73 41.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.523 2.106 . . . . 25.0 115.379 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 -30.84 4.77 Favored Glycine 0 C--N 1.292 -1.894 0 CA-C-N 112.98 -1.918 . . . . 25.0 116.194 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.34 158.79 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.297 0.57 . . . . 25.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -71.33 -20.39 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -104.05 8.56 36.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.104 0.478 . . . . 25.0 111.671 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -128.15 147.25 50.55 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.07 0.938 . . . . 25.0 110.501 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.2 mt -155.06 157.18 37.16 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.22 157.08 20.71 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.167 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -55.95 -41.71 75.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.267 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -54.77 -38.64 67.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.919 1.081 . . . . 25.0 113.919 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -66.49 -40.3 89.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.354 0.597 . . . . 25.0 109.744 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.84 -38.22 85.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.594 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.03 -33.66 76.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -77.15 -48.01 18.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.826 0.346 . . . . 25.0 110.438 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.13 -35.0 78.8 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.054 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.21 -44.77 96.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.543 -0.723 . . . . 25.0 110.846 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -76.97 -22.53 53.06 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.823 -0.751 . . . . 25.0 110.991 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -29.95 21.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.46 -36.73 13.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.178 -0.326 . . . . 25.0 110.773 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 -62.39 1.47 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m 45.41 34.82 1.67 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.77 -50.78 0.06 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-O 122.279 0.933 . . . . 25.0 113.074 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -13.01 61.37 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -26.01 68.38 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 176.188 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.29 -25.42 22.81 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.009 1.385 . . . . 25.0 109.434 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.28 -13.57 60.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.072 -1.422 . . . . 25.0 112.439 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.34 121.84 19.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -109.89 -20.37 12.78 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.238 -0.289 . . . . 25.0 111.704 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -81.5 94.71 6.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.182 0.515 . . . . 25.0 112.212 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.0 -36.28 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.494 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.08 -33.09 73.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 25.0 110.937 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -53.27 9.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.223 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.84 -35.42 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.456 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.8 -44.77 96.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -72.67 -35.83 67.8 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 -175.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.57 -39.91 18.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.831 -0.622 . . . . 25.0 110.627 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmt -66.8 -36.45 82.42 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.042 -1.036 . . . . 25.0 110.86 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 7.4 pttt -77.55 -25.9 50.5 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.987 -0.685 . . . . 25.0 111.279 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.42 -48.47 72.68 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -29.43 70.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 25.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.99 -38.83 83.13 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.378 -0.826 . . . . 25.0 111.159 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.03 -26.82 23.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.111 0.481 . . . . 25.0 111.561 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -106.06 8.16 32.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.074 0.464 . . . . 25.0 112.246 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.43 -29.69 63.85 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.342 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.99 2.8 37.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.79 -176.72 38.27 Favored Glycine 0 N--CA 1.434 -1.5 0 N-CA-C 107.168 -2.373 . . . . 25.0 107.168 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -120.84 145.75 47.28 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 113.565 -1.317 . . . . 25.0 113.736 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.7 178.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.814 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -132.85 -174.09 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.574 0.349 . . . . 25.0 110.395 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -58.53 -40.85 84.1 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -63.67 -38.87 92.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.05 -29.68 66.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.462 . . . . 25.0 110.911 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.38 -42.19 83.78 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.292 -0.88 . . . . 25.0 109.135 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG13 ' B' ' 75' ' ' VAL . 55.3 t -59.34 -40.64 81.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.837 -0.619 . . . . 25.0 112.034 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.14 -26.48 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 120.879 -1.138 . . . . 25.0 110.291 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.02 -27.8 64.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 25.0 110.258 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -84.16 -29.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 118.654 -1.219 . . . . 25.0 108.748 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.65 -20.72 62.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.885 -0.509 . . . . 25.0 111.654 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.47 70.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.332 0.587 . . . . 25.0 109.63 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.14 -37.25 66.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.93 77.13 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.952 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.48 -33.89 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.747 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -23.42 65.48 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.599 -0.688 . . . . 25.0 110.365 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -92.48 -46.17 7.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.95 -34.09 9.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.9 -16.3 60.06 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.829 -0.544 . . . . 25.0 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -41.08 -17.29 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.824 2.157 . . . . 25.0 116.824 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 121.249 -0.907 . . . . 25.0 111.991 179.256 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 121.119 0.485 . . . . 25.0 110.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -74.17 -34.35 63.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 25.0 109.851 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -29.85 70.39 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.99 -27.81 49.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.444 -0.785 . . . . 25.0 111.464 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -65.77 -22.26 66.57 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.76 -56.1 22.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.28 -26.0 67.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.48 -34.08 76.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 25.0 110.687 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.23 -38.52 63.5 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.146 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.74 -38.54 91.34 Favored 'General case' 0 C--O 1.205 -1.252 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.59 -39.47 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.01 82.59 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.28 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.35 -28.47 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.31 -61.61 1.77 Allowed 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 122.048 0.928 . . . . 25.0 109.801 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -14.72 63.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.852 -1.522 . . . . 25.0 111.907 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.26 80.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.319 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -112.9 5.76 17.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -66.73 155.41 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.02 50.89 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.195 -0.911 . . . . 25.0 112.847 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -67.05 -19.44 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.742 0.306 . . . . 25.0 111.504 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.61 -27.27 29.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 25.0 110.825 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.76 -30.9 4.08 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 110.198 -1.161 . . . . 25.0 110.198 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -117.56 150.95 38.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -93.08 -16.09 25.36 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.34 7.03 17.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.379 1.085 . . . . 25.0 110.675 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -140.44 166.1 25.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.192 -1.822 . . . . 25.0 107.768 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.1 mt -159.76 150.41 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 170.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -72.25 150.55 43.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -56.64 -42.24 78.52 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.597 0.221 . . . . 25.0 111.597 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -58.63 -37.0 74.96 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.31 -37.53 87.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.827 0.822 . . . . 25.0 110.255 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.12 -36.87 84.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.599 -0.728 . . . . 25.0 110.101 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -64.73 -32.58 74.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -79.01 -46.02 19.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.95 -30.58 67.99 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.486 -0.759 . . . . 25.0 111.416 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.75 -0.594 . . . . 25.0 110.459 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.11 -22.45 39.12 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.356 -174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.0 -33.93 61.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.65 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -97.67 -45.17 6.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -63.53 1.35 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.603 -172.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p 42.92 34.96 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.44 -48.99 0.07 OUTLIER Glycine 0 C--O 1.221 -0.707 0 CA-C-O 121.398 0.443 . . . . 25.0 112.777 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -13.71 61.55 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.6 -22.04 66.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.311 -0.859 . . . . 25.0 109.4 175.563 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -99.81 -5.54 28.4 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.884 1.326 . . . . 25.0 109.106 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.25 -5.81 39.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.604 -1.18 . . . . 25.0 111.059 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -72.79 125.18 26.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -112.57 -24.88 9.43 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.395 -0.19 . . . . 25.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.56 90.07 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.78 -33.68 65.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.557 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.44 -39.01 85.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.447 -0.783 . . . . 25.0 110.648 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -56.11 20.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.51 -30.36 48.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.03 -43.31 92.82 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.496 0.665 . . . . 25.0 109.646 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -73.39 -28.43 62.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.262 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -79.76 -40.33 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 122.504 0.322 . . . . 25.0 110.69 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.0 mtp -63.2 -44.55 95.03 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 121.314 -0.866 . . . . 25.0 109.922 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -68.96 -30.1 68.47 Favored 'General case' 0 C--O 1.205 -1.263 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.849 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.95 -48.09 75.3 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -31.38 72.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.343 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.26 -33.22 71.34 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.766 -0.584 . . . . 25.0 112.089 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.25 -33.36 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.89 0.852 . . . . 25.0 111.26 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -104.88 6.3 33.64 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.808 -170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -32.54 65.94 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 114.564 0.585 . . . . 25.0 114.564 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -82.07 1.33 36.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.945 0.35 . . . . 25.0 111.945 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.4 -163.79 39.63 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 109.026 -1.63 . . . . 25.0 109.026 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -129.91 146.88 51.62 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.458 -0.871 . . . . 25.0 112.937 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -147.32 177.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.3 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -130.69 -174.17 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -57.02 -39.71 75.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.427 ' O ' HG12 ' B' ' 75' ' ' VAL . 30.1 tt0 -64.54 -42.11 95.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.41 -33.24 72.7 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.493 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.11 -42.49 93.92 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.66 -0.65 . . . . 25.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -65.81 -28.22 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 O-C-N 121.815 -0.553 . . . . 25.0 111.397 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.41 -37.06 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.98 -35.29 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.6 -0.273 . . . . 25.0 111.229 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.43 -32.06 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.173 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.09 -20.65 63.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.954 -0.466 . . . . 25.0 111.694 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.32 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.32 -33.85 61.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -44.49 79.74 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.04 -33.53 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.395 -0.922 . . . . 25.0 109.84 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.53 64.64 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.891 -0.505 . . . . 25.0 110.846 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.29 -47.17 8.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.855 1.058 . . . . 25.0 113.855 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -103.35 -47.72 4.21 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -19.75 62.0 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 122.641 0.376 . . . . 25.0 110.879 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -41.03 -24.86 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 117.042 2.238 . . . . 25.0 117.042 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 CA--C 1.516 -0.328 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.44 -38.38 65.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.47 -28.97 70.33 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.603 1.335 . . . . 25.0 114.603 -174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.91 -25.97 56.52 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.836 -0.54 . . . . 25.0 111.307 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -75.3 -22.45 57.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.57 -55.94 24.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -59.15 -25.78 64.19 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -33.46 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.397 0.618 . . . . 25.0 110.762 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.7 p -74.91 -38.4 61.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.136 0.493 . . . . 25.0 111.02 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -37.15 85.99 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.95 -41.81 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -46.38 74.27 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.121 0.263 . . . . 25.0 111.217 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.37 -31.93 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -68.02 -57.37 6.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.19 0.995 . . . . 25.0 110.75 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -71.28 -14.73 62.32 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.236 -1.347 . . . . 25.0 111.415 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.57 81.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -99.06 -14.55 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.612 ' HA ' HD13 ' A' ' 28' ' ' LEU . 74.5 m -62.3 162.97 9.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.66 -10.53 53.1 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 121.086 -0.578 . . . . 25.0 112.234 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -64.32 -34.14 77.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.272 0.558 . . . . 25.0 111.054 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -73.27 -25.72 60.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.631 -1.168 . . . . 25.0 112.393 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.59 -28.05 4.81 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.678 -0.969 . . . . 25.0 110.678 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -119.58 157.18 28.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -8.44 49.66 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 115.405 1.631 . . . . 25.0 115.405 -173.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' B' ' 89' ' ' PHE . 29.8 m-85 -91.46 -9.5 44.32 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.388 1.089 . . . . 25.0 108.53 172.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -112.65 152.88 28.45 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.387 -1.733 . . . . 25.0 110.1 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 19' ' ' SER . 6.4 tp -147.61 169.28 19.96 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 76.2 p -95.36 157.33 15.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 118.723 0.692 . . . . 25.0 109.563 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.75 -46.4 90.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.249 -0.282 . . . . 25.0 111.322 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -54.89 -39.95 69.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.185 1.18 . . . . 25.0 114.185 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 28' ' ' LEU . 8.7 tp10 -62.3 -36.95 83.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 25.0 111.126 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 69' ' ' VAL . 68.1 mt -63.32 -37.13 86.06 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.527 -0.469 . . . . 25.0 110.695 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -67.23 -29.9 69.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 25.0 110.123 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.84 -45.7 16.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.672 -0.24 . . . . 25.0 111.372 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -29.63 67.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.76 -0.587 . . . . 25.0 110.735 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.76 -43.47 96.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.834 -0.541 . . . . 25.0 109.967 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -79.66 -22.37 43.6 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.01 -0.676 . . . . 25.0 111.234 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -27.15 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 25.0 111.802 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.66 -45.09 4.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -64.8 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.672 -0.411 . . . . 25.0 111.466 -173.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p 40.25 36.19 0.31 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.11 1.522 . . . . 25.0 115.11 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.34 -50.21 0.07 OUTLIER Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.979 0.766 . . . . 25.0 112.853 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -16.29 62.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.2 -25.28 68.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.177 176.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.99 -23.91 22.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.958 1.361 . . . . 25.0 108.655 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.07 -13.64 59.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.1 -1.409 . . . . 25.0 112.686 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.68 135.09 54.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.676 -0.238 . . . . 25.0 110.675 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -122.02 -27.17 4.63 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.16 91.81 3.75 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -33.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.767 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.37 -39.05 78.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.61 -0.836 . . . . 25.0 110.472 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.79 61.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.666 0.746 . . . . 25.0 109.333 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.65 -34.4 67.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.621 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.01 -45.07 87.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.205 0.526 . . . . 25.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -72.78 -31.23 64.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.587 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -78.8 -42.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.02 0.128 . . . . 25.0 111.326 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.9 mmt -65.51 -39.19 91.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.47 -0.769 . . . . 25.0 111.909 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.72 -31.16 70.9 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 120.497 -0.481 . . . . 25.0 109.829 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.35 -40.98 42.08 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -32.4 73.35 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.963 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -40.29 88.36 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.754 -0.591 . . . . 25.0 112.437 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -32.59 36.93 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.037 0.922 . . . . 25.0 110.286 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 9.77 42.49 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.51 -173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.07 65.98 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 114.421 0.528 . . . . 25.0 114.421 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -82.12 6.24 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.928 0.364 . . . . 25.0 111.283 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.18 -164.67 40.03 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.724 -2.15 . . . . 25.0 107.724 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 3.7 pt-20 -131.64 162.65 29.89 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.129 -0.535 . . . . 25.0 111.686 -170.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 33' ' ' LEU . 26.9 m -143.96 173.85 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.37 -1.286 . . . . 25.0 110.644 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -131.52 -174.1 3.31 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.0 -40.58 81.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.07 -38.21 87.73 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.176 -0.327 . . . . 25.0 110.737 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.17 -36.82 84.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.481 -0.762 . . . . 25.0 110.128 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -69.26 -41.06 77.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.158 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG13 HG13 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -60.34 -33.65 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.831 179.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.56 -40.16 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.64 -34.75 78.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 25.0 112.327 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -75.03 -33.69 29.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.324 -0.95 . . . . 25.0 108.592 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.34 -20.48 62.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.962 -0.461 . . . . 25.0 112.01 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.39 69.94 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.12 -37.3 61.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -46.21 76.6 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.798 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.43 -34.21 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.051 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.9 -27.91 61.28 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 121.041 -0.264 . . . . 25.0 110.359 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.7 -52.06 6.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -106.03 -36.39 6.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.791 1.404 . . . . 25.0 114.791 -167.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -81.89 -16.62 50.03 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.906 -0.496 . . . . 25.0 110.254 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -41.07 -20.43 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 118.194 2.665 . . . . 25.0 118.194 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 C--N 1.311 -1.092 0 C-N-CA 123.246 0.618 . . . . 25.0 111.449 178.741 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.334 0.588 . . . . 25.0 110.553 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.93 -39.91 94.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.836 -0.54 . . . . 25.0 110.306 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -29.34 69.79 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.18 -25.3 34.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.864 -0.735 . . . . 25.0 111.147 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -70.53 -21.93 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.26 -54.72 36.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.905 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -60.6 -24.9 65.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.9 76.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.239 0.542 . . . . 25.0 110.198 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 37.8 p -73.63 -38.35 65.05 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.927 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -36.73 83.27 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.55 -42.47 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -53.8 -46.12 70.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 123.279 0.362 . . . . 25.0 111.381 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' ND2' ' B' ' 13' ' ' ASN . 34.9 m -85.55 -32.01 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.754 0.65 . . . . 25.0 112.754 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -66.71 -56.77 9.06 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.419 1.104 . . . . 25.0 110.247 -175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.84 -15.65 61.16 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.908 -1.496 . . . . 25.0 112.229 -177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -36.31 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -101.8 -9.3 20.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.543 ' HA ' HD13 ' B' ' 28' ' ' LEU . 57.8 m -61.91 156.91 19.67 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.789 0.662 . . . . 25.0 112.789 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.79 -11.14 49.46 Favored Glycine 0 C--O 1.223 -0.583 0 CA-C-N 115.712 -0.676 . . . . 25.0 113.277 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.76 -34.04 75.13 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.661 0.743 . . . . 25.0 110.754 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.58 -26.74 58.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.327 -1.306 . . . . 25.0 111.932 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.68 -30.66 4.15 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.453 -1.059 . . . . 25.0 110.453 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -113.52 154.06 27.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.64 0.733 . . . . 25.0 110.978 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -16.21 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -172.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -102.34 7.2 40.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.83 0.824 . . . . 25.0 109.719 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -131.15 157.73 42.39 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.021 -1.445 . . . . 25.0 108.789 -174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -156.65 144.71 19.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 177.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.62 151.9 43.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.944 0.402 . . . . 25.0 110.837 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -55.03 -46.36 75.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.117 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -57.99 -36.65 72.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.456 ' HG2' HD11 ' B' ' 28' ' ' LEU . 27.2 tp10 -67.44 -38.95 85.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.541 0.686 . . . . 25.0 109.861 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.4 -37.75 87.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.691 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.41 -35.3 79.96 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -74.78 -49.65 20.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.57 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.68 -30.39 70.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.675 -0.641 . . . . 25.0 110.974 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.11 -42.48 96.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.042 -0.411 . . . . 25.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.94 -22.47 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.755 -0.778 . . . . 25.0 109.981 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -36.08 60.5 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.658 0.599 . . . . 25.0 111.3 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -93.21 -45.29 7.93 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -60.47 2.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.432 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m 44.9 35.04 1.36 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.49 -44.39 0.07 OUTLIER Glycine 0 C--O 1.224 -0.507 0 CA-C-O 121.689 0.605 . . . . 25.0 112.75 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.494 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -76.23 -9.1 58.37 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.589 -0.948 . . . . 25.0 112.989 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.504 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.31 -22.48 66.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.006 173.566 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -100.97 -36.97 8.83 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 122.888 1.328 . . . . 25.0 109.462 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -70.04 -16.57 63.17 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 114.632 -1.167 . . . . 25.0 111.174 -171.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -67.85 135.71 52.96 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 125.879 1.671 . . . . 25.0 108.871 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -120.42 -26.42 5.4 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -77.39 91.71 3.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -33.62 61.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.68 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.97 -40.72 78.69 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.716 -0.794 . . . . 25.0 110.547 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.68 49.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.565 0.698 . . . . 25.0 109.585 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.21 -33.98 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.74 -0.664 . . . . 25.0 111.564 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.78 -49.9 74.49 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.33 -32.42 66.51 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.92 -40.43 26.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.516 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.2 mmt -68.38 -34.59 76.33 Favored 'General case' 0 CA--C 1.509 -0.601 0 O-C-N 121.018 -1.051 . . . . 25.0 111.75 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -77.05 -27.23 54.31 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.548 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.87 -47.36 78.17 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 105.091 -2.189 . . . . 25.0 105.091 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -29.21 70.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.257 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -39.66 78.34 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.561 -0.712 . . . . 25.0 110.957 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -85.81 -27.6 25.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.349 0.595 . . . . 25.0 111.261 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.05 7.65 34.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.591 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.3 -32.63 60.63 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 115.019 0.767 . . . . 25.0 115.019 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -79.58 -1.49 38.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.032 0.416 . . . . 25.0 111.665 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.72 37.06 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 109.744 -1.342 . . . . 25.0 109.744 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.35 147.69 52.4 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -148.76 175.25 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.629 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.47 -174.16 3.15 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.24 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.76 -40.03 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.493 ' O ' HG12 ' B' ' 75' ' ' VAL . 14.9 tt0 -67.77 -40.62 83.99 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.004 -0.435 . . . . 25.0 109.995 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.41 -32.77 73.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.582 -0.698 . . . . 25.0 110.134 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.63 -41.42 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.513 -0.742 . . . . 25.0 110.381 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 72' ' ' GLN . 1.3 p -65.95 -26.89 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.774 -0.579 . . . . 25.0 111.061 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.15 -40.7 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.798 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.39 -33.33 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 119.589 -0.844 . . . . 25.0 109.499 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.7 60.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.35 70.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.685 -0.858 . . . . 25.0 108.685 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.64 -35.35 58.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 -46.79 75.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.738 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.63 -33.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.702 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.21 67.83 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 122.055 -0.403 . . . . 25.0 110.256 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.5 t -85.06 -51.65 6.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -100.96 -34.5 9.75 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -168.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -17.53 55.59 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 121.917 -0.489 . . . . 25.0 110.045 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -40.77 -24.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.663 2.468 . . . . 25.0 117.663 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.314 -0.956 0 C-N-CA 123.661 0.784 . . . . 25.0 112.342 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' B' ' 40' ' ' GLU . 80.3 p . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 120.476 0.179 . . . . 25.0 111.379 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -30.86 50.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 171.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -28.06 69.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -174.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.99 -27.48 49.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.73 -0.606 . . . . 25.0 111.028 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -70.23 -21.48 63.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.183 0.992 . . . . 25.0 109.291 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.69 -55.36 30.61 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.441 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -60.42 -26.71 66.91 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.59 -32.69 74.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.294 0.569 . . . . 25.0 110.684 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 46.9 p -74.91 -38.47 61.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.137 0.494 . . . . 25.0 111.04 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.78 -38.08 88.05 Favored 'General case' 0 C--O 1.207 -1.135 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -60.56 -41.16 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -46.28 75.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.826 0.079 . . . . 25.0 111.164 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -84.58 -30.42 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.73 -58.06 5.85 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.616 1.198 . . . . 25.0 110.724 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -70.62 -17.56 62.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 25.0 111.545 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.96 79.69 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.364 -0.534 . . . . 25.0 109.655 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -106.36 -3.9 20.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 55.5 m -62.15 156.5 21.55 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.349 1.611 . . . . 25.0 115.349 -172.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.62 50.27 Favored Glycine 0 C--O 1.223 -0.581 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.651 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -70.42 -32.2 69.72 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 122.37 -0.488 . . . . 25.0 111.148 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -26.4 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.8 -30.86 4.08 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-O 118.825 -0.986 . . . . 25.0 115.168 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -96.05 153.91 17.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 119.236 1.518 . . . . 25.0 111.35 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.65 -21.0 61.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.459 -1.246 . . . . 25.0 113.849 -173.821 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.59 13.96 23.66 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 122.88 0.472 . . . . 25.0 112.072 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -131.55 153.49 49.8 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 121.669 0.747 . . . . 25.0 109.476 -172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.7 mt -152.44 161.39 42.67 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 p -85.08 154.01 22.33 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.28 -42.47 86.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.484 0.183 . . . . 25.0 110.955 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -58.87 -35.48 73.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.11 -41.53 81.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.121 0.486 . . . . 25.0 109.799 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.624 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.13 -39.93 73.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.433 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -47.04 16.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.85 -30.81 71.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.311 -0.556 . . . . 25.0 110.317 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.47 -48.61 76.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 121.961 -0.462 . . . . 25.0 109.906 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.01 -25.0 47.7 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.588 -0.845 . . . . 25.0 111.528 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.74 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.191 -0.204 . . . . 25.0 110.77 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.45 -45.29 6.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 25.0 111.71 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -64.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -172.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m 45.57 33.83 1.5 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.25 -50.96 0.06 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-O 122.008 0.782 . . . . 25.0 113.046 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -11.49 60.27 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.02 -23.69 66.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.068 175.401 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.67 -30.52 16.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.647 1.213 . . . . 25.0 108.579 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.8 -7.99 44.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.144 -1.389 . . . . 25.0 113.646 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' H ' ' HG3' ' A' ' 48' ' ' GLN . 11.5 mt-30 -72.09 120.92 18.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -113.21 -23.29 10.03 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.345 -0.222 . . . . 25.0 111.075 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -81.67 89.64 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.74 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.021 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.94 -33.02 73.87 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.764 -0.774 . . . . 25.0 111.248 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 -56.79 10.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.62 0.724 . . . . 25.0 109.416 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.8 -30.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 113.005 0.742 . . . . 25.0 113.005 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.099 0.476 . . . . 25.0 110.068 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -83.36 -32.15 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.432 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.72 -40.47 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.322 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.19 -36.18 79.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.129 -0.982 . . . . 25.0 110.323 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -27.21 63.11 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 119.798 -0.761 . . . . 25.0 110.697 176.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.79 -47.7 61.91 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.45 72.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.883 -1.053 . . . . 25.0 111.494 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.8 -38.11 82.89 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.92 -0.487 . . . . 25.0 111.99 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -82.08 -32.71 30.18 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.028 0.918 . . . . 25.0 111.041 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -103.8 8.49 37.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.536 -1.211 . . . . 25.0 113.47 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.2 63.0 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 113.995 0.358 . . . . 25.0 113.995 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.34 0.25 42.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.43 -164.74 40.5 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.848 -1.701 . . . . 25.0 108.848 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.67 149.09 51.57 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -172.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -148.36 175.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.732 -1.122 . . . . 25.0 110.533 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.63 -174.06 3.19 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.553 0.341 . . . . 25.0 110.428 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.89 -38.6 76.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.931 0.715 . . . . 25.0 112.931 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -67.06 -39.13 86.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.83 -0.543 . . . . 25.0 110.022 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.72 -31.59 70.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.033 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.46 -44.94 73.77 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.275 -0.891 . . . . 25.0 110.524 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -63.83 -32.38 56.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 122.004 -0.435 . . . . 25.0 111.788 -176.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -79.92 -28.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.494 -0.754 . . . . 25.0 110.01 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -29.32 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -84.76 -33.93 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 118.997 -1.081 . . . . 25.0 109.791 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.37 -20.7 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.757 -0.589 . . . . 25.0 111.64 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.98 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.409 0.624 . . . . 25.0 109.798 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.82 -34.61 60.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -44.28 79.77 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.713 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.36 -32.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 119.527 -0.869 . . . . 25.0 110.563 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.26 -24.34 62.16 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -87.06 -51.56 5.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -103.51 -43.41 5.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.198 1.184 . . . . 25.0 114.198 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -20.73 64.74 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -40.96 -25.48 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 117.396 2.369 . . . . 25.0 117.396 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--N 1.315 -0.931 0 C-N-CA 123.232 0.613 . . . . 25.0 112.393 176.748 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.89 -34.48 76.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.812 0.815 . . . . 25.0 109.502 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.88 -30.01 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.21 -24.34 37.5 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.639 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -22.28 65.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.97 -57.41 10.43 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.413 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ptp -60.12 -25.93 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.26 -32.98 74.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.535 0.683 . . . . 25.0 110.778 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.2 p -74.44 -38.22 63.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.435 -0.506 . . . . 25.0 111.122 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.31 86.45 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 175.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.44 -40.97 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -44.84 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -177.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.19 -29.38 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.16 -59.66 3.26 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 122.767 1.27 . . . . 25.0 111.192 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -68.89 -15.8 63.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.472 -1.695 . . . . 25.0 111.056 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.14 71.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.787 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -107.15 -3.58 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 84.6 p -62.11 149.93 39.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -171.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.06 11.27 32.48 Favored Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.07 -0.968 . . . . 25.0 115.342 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.48 -23.64 60.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.225 1.012 . . . . 25.0 108.916 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -104.84 -16.21 14.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.499 -1.682 . . . . 25.0 112.579 -173.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 -7.19 9.17 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 117.922 1.929 . . . . 25.0 117.922 172.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.21 169.8 11.38 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.126 0.963 . . . . 25.0 113.123 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -23.26 27.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -116.75 14.66 15.33 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.508 0.929 . . . . 25.0 113.508 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -124.92 165.49 18.0 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -175.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 1.8 mt -154.87 152.46 29.8 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 83.9 p -78.78 148.19 33.05 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' B' ' 69' ' ' VAL . 30.8 mttm -59.15 -39.08 81.3 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.225 -0.297 . . . . 25.0 111.391 -177.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.85 -39.56 85.59 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.49 -40.28 85.21 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.261 0.553 . . . . 25.0 110.195 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.37 -38.18 90.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.883 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -33.71 76.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.528 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -45.89 18.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.34 -29.34 68.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.751 -0.593 . . . . 25.0 110.094 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.89 -44.75 95.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.53 -23.32 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.716 -0.793 . . . . 25.0 111.002 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -31.9 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.706 0.289 . . . . 25.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 3.4 mm-40 -98.14 -44.93 6.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.87 -65.41 1.01 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.171 -175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m 47.22 32.43 2.09 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.24 -53.75 0.08 OUTLIER Glycine 0 C--O 1.221 -0.685 0 C-N-CA 121.402 -0.427 . . . . 25.0 113.716 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.63 -22.31 63.48 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.476 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.23 -23.03 67.24 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.965 -1.016 . . . . 25.0 110.8 177.429 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.78 7.86 24.36 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.502 1.144 . . . . 25.0 109.303 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.01 12.41 19.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.703 -1.135 . . . . 25.0 110.479 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.21 128.74 33.88 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -109.79 -28.89 8.56 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.58 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -81.17 92.17 6.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.55 -34.14 67.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.966 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.72 -38.98 80.61 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.417 -0.913 . . . . 25.0 110.686 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.06 46.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.771 . . . . 25.0 109.047 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.91 -32.44 54.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 115.723 -0.672 . . . . 25.0 112.35 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.14 -44.33 92.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.226 0.536 . . . . 25.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -72.71 -29.59 63.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.583 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -83.03 -39.89 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.9 mmt -67.57 -39.33 84.9 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.994 -1.066 . . . . 25.0 110.918 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -68.02 -28.66 67.6 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.708 -0.797 . . . . 25.0 109.728 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.3 -45.14 57.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -29.75 70.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.6 -0.727 . . . . 25.0 110.976 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.6 -38.4 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.08 0.467 . . . . 25.0 111.826 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.93 -35.29 38.01 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 122.155 0.978 . . . . 25.0 110.458 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -104.2 3.59 33.02 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 114.778 1.399 . . . . 25.0 114.778 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.23 -31.97 66.79 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.778 -0.249 . . . . 25.0 113.709 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -82.06 -2.28 51.32 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.86 -161.63 37.56 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 109.033 -1.627 . . . . 25.0 109.033 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.12 147.92 49.64 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 113.057 0.762 . . . . 25.0 113.057 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' B' ' 30' ' ' LYS . 7.5 m -144.02 -178.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.565 -1.198 . . . . 25.0 107.781 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -126.56 -174.21 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.162 0.437 . . . . 25.0 111.242 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.88 -41.35 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -61.16 -41.93 97.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -32.28 72.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.197 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.592 0.71 . . . . 25.0 109.549 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.01 -37.28 76.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.383 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.03 -36.86 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.19 -37.27 86.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.68 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.66 -29.27 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 119.584 -0.847 . . . . 25.0 109.0 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.58 60.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.01 70.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.45 -35.65 60.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.435 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -67.08 -46.33 74.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.67 -35.98 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.098 -0.641 . . . . 25.0 109.629 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.8 61.13 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.485 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.71 -45.13 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.067 1.136 . . . . 25.0 114.067 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -109.31 -34.78 6.45 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.51 -16.03 50.21 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 122.216 -0.302 . . . . 25.0 111.581 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -40.76 -19.27 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 119.559 3.17 . . . . 25.0 119.559 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 121.545 -0.722 . . . . 25.0 110.933 -178.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.222 -0.383 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.47 -31.86 69.17 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.272 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -27.85 69.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.624 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.28 -28.85 42.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 117.897 0.317 . . . . 25.0 111.583 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -22.42 62.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 122.287 1.042 . . . . 25.0 108.552 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.26 -57.91 9.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.1 ptp -57.53 -26.07 60.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.73 -32.28 73.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.636 0.731 . . . . 25.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 34.0 p -76.37 -37.54 57.07 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.986 -0.446 . . . . 25.0 111.051 -178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.35 80.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 175.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.39 -40.5 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -45.7 74.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.555 0.206 . . . . 25.0 111.555 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.32 -30.37 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.96 -55.5 14.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.168 0.985 . . . . 25.0 110.914 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.08 -14.39 61.39 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.146 -1.388 . . . . 25.0 111.557 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.61 75.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.2 -0.666 . . . . 25.0 109.2 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -109.99 -3.18 16.66 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.223 1.194 . . . . 25.0 114.223 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -68.71 161.25 28.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.383 -0.823 . . . . 25.0 110.702 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.1 -15.46 60.45 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.791 -0.719 . . . . 25.0 111.69 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -65.97 -27.94 68.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.656 -0.32 . . . . 25.0 110.217 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -74.32 -29.73 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.59 0.709 . . . . 25.0 110.687 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.55 -30.63 4.19 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.349 -1.1 . . . . 25.0 110.349 -175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.92 156.03 23.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.377 0.608 . . . . 25.0 110.376 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -16.44 52.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -109.76 5.86 23.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.563 0.697 . . . . 25.0 110.403 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.66 152.74 40.2 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.854 -1.066 . . . . 25.0 108.131 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 tp -156.17 148.72 23.74 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -74.33 152.85 39.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.862 0.363 . . . . 25.0 110.529 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -57.11 -44.11 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 25.0 110.474 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -59.36 -39.58 83.7 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.84 -39.0 92.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.208 0.528 . . . . 25.0 109.873 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.28 -38.39 90.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.461 . . . . 25.0 110.432 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -65.92 -35.86 81.78 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.245 -0.28 . . . . 25.0 110.245 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.9 -42.91 47.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.08 -31.31 65.97 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.666 -0.646 . . . . 25.0 111.045 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.22 -44.21 97.07 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.779 -0.575 . . . . 25.0 110.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.28 -22.57 48.06 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.992 -0.683 . . . . 25.0 111.164 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -29.19 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -95.82 -45.4 6.99 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.465 . . . . 25.0 111.743 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m 45.64 33.33 1.4 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.84 -44.65 0.08 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-O 121.584 0.547 . . . . 25.0 112.952 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -75.21 -10.73 59.73 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.414 -1.05 . . . . 25.0 113.412 -177.112 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.17 -22.73 66.37 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.141 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.79 -30.92 10.57 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 124.25 1.976 . . . . 25.0 110.775 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -69.67 -14.4 62.79 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 124.467 2.079 . . . . 25.0 116.312 -174.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.49 146.82 51.61 Favored 'General case' 0 CA--C 1.482 -1.659 0 O-C-N 120.5 -1.375 . . . . 25.0 109.963 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.32 -32.29 2.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 113.416 -1.72 . . . . 25.0 114.286 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.44 93.83 3.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 25.0 110.414 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.52 -34.0 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.529 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.85 -39.37 79.94 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.581 -0.848 . . . . 25.0 110.616 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.19 58.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.513 0.673 . . . . 25.0 109.524 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.51 -33.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.64 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.91 -48.06 75.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.016 0.436 . . . . 25.0 110.277 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -69.16 -30.02 68.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 25.0 111.075 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.46 -44.17 21.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.739 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.194 -0.941 . . . . 25.0 110.868 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.72 -23.01 61.55 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.86 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -47.69 33.98 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -26.95 68.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.858 -1.064 . . . . 25.0 112.111 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -36.98 72.58 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.991 -0.684 . . . . 25.0 111.363 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.17 -28.77 22.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.526 0.679 . . . . 25.0 111.88 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -107.09 8.33 30.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.876 -172.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.99 -31.97 65.86 Favored Glycine 0 C--N 1.318 -0.428 0 N-CA-C 114.279 0.471 . . . . 25.0 114.279 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -87.46 9.74 19.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.86 -176.8 36.67 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 106.916 -2.473 . . . . 25.0 106.916 171.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -119.87 144.62 47.29 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.337 -1.432 . . . . 25.0 112.772 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.26 179.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.156 -0.929 . . . . 25.0 109.5 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.19 -174.11 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.09 -41.65 79.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.459 0.54 . . . . 25.0 112.459 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.06 -41.38 98.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.721 -0.474 . . . . 25.0 109.721 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.63 -31.75 71.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 25.0 111.273 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.93 -41.16 87.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.535 0.683 . . . . 25.0 109.318 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 HG13 ' B' ' 75' ' ' VAL . 41.6 t -59.53 -38.6 76.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.603 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.47 -37.82 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.56 -37.54 87.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.922 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.54 -31.23 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 119.508 -0.877 . . . . 25.0 109.261 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.18 -21.0 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.8 70.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -76.92 -35.24 57.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.881 -0.599 . . . . 25.0 109.695 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -65.8 -47.73 74.11 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.389 -0.369 . . . . 25.0 111.782 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.42 -33.81 64.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.532 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.16 -27.96 64.95 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 116.618 -0.264 . . . . 25.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.7 t -85.36 -51.27 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.503 0.668 . . . . 25.0 112.633 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -101.39 -49.5 4.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -168.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -70.21 -16.22 63.03 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 119.361 -0.352 . . . . 25.0 110.5 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -40.53 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 118.443 2.757 . . . . 25.0 118.443 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--N 1.315 -0.892 0 C-N-CA 123.881 0.872 . . . . 25.0 112.064 177.601 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.74 -29.25 69.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.615 0.721 . . . . 25.0 110.114 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -28.18 68.54 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.77 -28.92 40.31 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.017 -0.673 . . . . 25.0 112.025 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -22.09 64.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.275 1.036 . . . . 25.0 109.449 177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.02 -58.77 6.07 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 114.948 -1.024 . . . . 25.0 112.302 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.7 ptp -57.13 -28.81 63.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.91 -33.98 76.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 25.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -72.79 -37.94 67.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.546 -0.461 . . . . 25.0 111.083 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -37.05 83.39 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.53 -38.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.909 0.336 . . . . 25.0 111.909 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -85.77 -32.08 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.02 -57.23 6.49 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 122.443 1.116 . . . . 25.0 110.352 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.47 -14.19 62.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.803 -1.544 . . . . 25.0 111.238 -176.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.3 76.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -99.09 -13.93 19.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.3 m -64.18 155.41 31.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.655 -0.653 . . . . 25.0 111.619 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.43 -20.47 30.09 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 111.648 -0.581 . . . . 25.0 111.648 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -64.74 -34.59 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -105.62 41.74 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 124.981 2.324 . . . . 25.0 116.673 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.46 -30.7 9.12 Favored Glycine 0 C--N 1.286 -2.219 0 CA-C-N 112.653 -2.067 . . . . 25.0 114.193 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -143.93 164.88 29.31 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 121.855 0.836 . . . . 25.0 112.795 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -76.8 -15.5 59.71 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 125.76 1.624 . . . . 25.0 112.095 -170.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -110.24 6.52 22.65 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.212 1.006 . . . . 25.0 109.105 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -127.41 152.08 47.98 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.891 -1.504 . . . . 25.0 107.792 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.44 149.0 23.62 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.6 153.47 28.0 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.29 -0.564 . . . . 25.0 111.318 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -56.79 -40.42 75.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.901 -0.591 . . . . 25.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -55.33 -44.66 76.09 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.18 -38.11 81.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.464 0.65 . . . . 25.0 110.203 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.31 -38.19 90.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 25.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.61 -32.81 74.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.551 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -82.9 -39.78 21.06 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.84 -32.47 67.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.636 -0.665 . . . . 25.0 110.389 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.597 -0.689 . . . . 25.0 110.433 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.48 -22.36 51.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.043 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -31.65 22.51 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.22 -45.4 8.26 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.26 -61.86 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.892 -174.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 46.24 34.7 2.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.459 1.281 . . . . 25.0 114.459 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.6 -43.3 0.08 OUTLIER Glycine 0 C--O 1.225 -0.428 0 CA-C-O 121.428 0.46 . . . . 25.0 112.531 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.85 -14.48 61.09 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.364 -1.08 . . . . 25.0 113.353 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.508 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.24 -20.86 66.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.216 -0.902 . . . . 25.0 109.94 173.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.19 -26.01 13.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 123.489 1.614 . . . . 25.0 109.305 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.5 48.69 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.651 -1.159 . . . . 25.0 110.918 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.94 132.88 48.85 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 125.695 1.598 . . . . 25.0 109.278 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -116.35 -29.33 6.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -76.68 92.91 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.21 0.528 . . . . 25.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.76 -35.76 74.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.929 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.41 -31.49 71.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 25.0 111.154 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -54.77 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.837 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.48 -32.54 58.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.61 -44.33 86.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.292 0.568 . . . . 25.0 110.041 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -31.4 70.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.934 -177.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -77.52 -43.91 29.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.071 -0.513 . . . . 25.0 109.829 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.18 -40.73 96.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.472 -0.768 . . . . 25.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -71.58 -25.15 62.07 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.527 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.41 56.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 105.454 -2.054 . . . . 25.0 105.454 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -33.31 73.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.781 -1.1 . . . . 25.0 111.367 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.1 -33.64 74.91 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.717 -0.614 . . . . 25.0 112.356 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -86.64 -31.58 21.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.883 0.849 . . . . 25.0 111.807 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -103.47 4.58 36.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.977 -1.01 . . . . 25.0 113.527 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -30.82 73.82 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 116.055 -0.52 . . . . 25.0 113.64 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -0.98 48.67 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.72 -178.31 39.46 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -119.93 144.24 47.55 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 112.908 -1.646 . . . . 25.0 112.7 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -143.06 -179.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.144 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.42 -174.2 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 122.407 0.283 . . . . 25.0 110.578 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -57.34 -38.64 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.261 0.553 . . . . 25.0 109.652 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.51 -32.0 69.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.478 . . . . 25.0 110.397 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -68.22 -44.43 75.75 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.296 -0.878 . . . . 25.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -62.77 -31.53 52.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.031 -0.418 . . . . 25.0 111.912 -177.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.48 -27.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 121.382 -0.823 . . . . 25.0 110.289 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -66.72 -29.95 70.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.43 -31.35 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 119.006 -1.077 . . . . 25.0 109.407 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.66 62.8 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.056 -0.403 . . . . 25.0 111.564 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.87 74.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.432 0.634 . . . . 25.0 109.454 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 31.3 mt -75.74 -34.0 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -45.2 78.29 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.729 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.66 -32.3 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.299 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.36 -26.53 63.77 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 122.144 -0.347 . . . . 25.0 110.364 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.41 -51.07 6.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -105.15 -38.39 6.57 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -170.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -20.33 62.21 Favored 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -20.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 123.878 0.871 . . . . 25.0 112.717 173.029 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 121.339 0.59 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.94 -32.39 40.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 25.0 110.308 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -33.69 73.69 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.45 -28.81 56.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -66.06 -23.08 66.47 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 121.86 0.838 . . . . 25.0 109.932 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.17 29.63 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 114.789 -1.096 . . . . 25.0 113.846 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.3 ptp -61.23 -24.72 66.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.14 -33.45 75.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.17 0.51 . . . . 25.0 110.246 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.8 p -76.17 -38.76 56.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 25.0 111.535 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.43 87.35 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.34 -39.52 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.41 -46.17 73.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.922 0.139 . . . . 25.0 111.037 -177.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.7 m -85.53 -30.28 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.98 -58.6 5.17 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.46 1.124 . . . . 25.0 111.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.16 -14.59 62.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.171 -1.377 . . . . 25.0 111.17 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.81 79.79 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.489 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -103.65 -10.32 18.48 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 28' ' ' LEU . 85.1 p -58.65 141.89 51.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.91 8.32 26.11 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.032 0.773 . . . . 25.0 115.032 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.27 -29.66 64.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.349 1.071 . . . . 25.0 110.371 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 22' ' ' GLU . 1.6 pm0 -95.34 -16.91 22.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.058 -1.883 . . . . 25.0 110.692 -175.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.45 -7.77 7.47 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 117.105 1.602 . . . . 25.0 117.105 173.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -137.74 133.87 34.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.547 1.173 . . . . 25.0 112.486 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -72.45 -18.4 61.7 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.675 -0.641 . . . . 25.0 111.803 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -82.35 -2.06 51.7 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.89 0.852 . . . . 25.0 111.552 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -130.55 170.97 13.55 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 113.907 -1.497 . . . . 25.0 109.808 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.1 tp -154.57 143.57 21.02 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 168.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.499 ' H ' HD12 ' A' ' 28' ' ' LEU . 97.4 p -67.64 148.51 51.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.46 -44.91 89.43 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.176 0.444 . . . . 25.0 111.217 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -55.05 -40.43 70.28 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 28' ' ' LEU . 24.6 tp10 -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 25.0 111.609 -175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.56 -37.79 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.875 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -35.25 79.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.492 -0.322 . . . . 25.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.66 -40.36 20.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.74 -29.66 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.451 -0.781 . . . . 25.0 110.167 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.25 -43.59 94.42 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.071 -0.393 . . . . 25.0 110.103 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -80.12 -22.78 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.606 -0.683 . . . . 25.0 110.977 -175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.58 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.754 0.279 . . . . 25.0 111.754 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.18 -45.12 6.01 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -58.84 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 25.0 111.754 -174.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.92 24.57 0.37 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.77 -56.33 0.11 Allowed Glycine 0 C--O 1.228 -0.269 0 CA-C-O 121.76 0.644 . . . . 25.0 112.828 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -70.39 -21.59 62.84 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -173.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.11 -27.18 66.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.219 -0.9 . . . . 25.0 110.12 176.261 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.84 -25.67 14.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.717 1.246 . . . . 25.0 109.492 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -68.53 -9.86 51.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.348 -1.296 . . . . 25.0 112.306 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.85 140.84 58.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 122.64 0.376 . . . . 25.0 111.652 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -123.15 -20.89 5.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.93 96.15 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.147 0.499 . . . . 25.0 110.086 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.66 -34.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.065 0.546 . . . . 25.0 112.37 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.63 -35.66 73.04 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.899 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.67 50.5 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.472 -0.491 . . . . 25.0 109.85 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.4 -34.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.287 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -65.88 -42.6 90.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.971 0.415 . . . . 25.0 110.797 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -78.84 -28.84 44.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.5 t -80.91 -42.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 122.064 0.146 . . . . 25.0 110.784 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.24 -0.984 . . . . 25.0 109.57 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -20.69 63.95 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.777 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -78.42 -50.57 11.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -30.62 71.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.459 -0.792 . . . . 25.0 111.122 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.88 -36.86 83.25 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.922 -0.486 . . . . 25.0 112.271 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -84.38 -32.08 24.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.945 0.878 . . . . 25.0 111.747 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -105.28 2.09 28.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.41 -1.268 . . . . 25.0 113.999 -169.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.35 63.91 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.541 0.577 . . . . 25.0 114.541 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.28 -9.41 58.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.837 0.318 . . . . 25.0 111.266 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.69 -161.2 37.09 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-O 122.663 1.146 . . . . 25.0 110.549 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 8.1 pt-20 -137.55 153.54 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.333 1.234 . . . . 25.0 114.333 -173.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.53 -178.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.367 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -127.43 -174.11 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.825 0.284 . . . . 25.0 110.627 -174.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.06 -39.7 79.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 75' ' ' VAL . 27.4 tt0 -65.79 -39.1 90.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.808 -0.558 . . . . 25.0 109.732 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -34.18 76.83 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.803 -0.759 . . . . 25.0 110.14 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.39 -43.02 82.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.918 -0.489 . . . . 25.0 110.931 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -62.2 -30.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.045 -0.409 . . . . 25.0 111.394 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.58 -39.96 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.95 -34.56 77.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.433 -0.349 . . . . 25.0 111.76 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.09 -34.89 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 119.393 -0.923 . . . . 25.0 109.509 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.63 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.979 -0.451 . . . . 25.0 111.826 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.82 74.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.16 -36.71 69.39 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -47.5 71.8 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.694 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.12 -33.56 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.05 -0.66 . . . . 25.0 110.381 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -33.97 62.65 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.562 -0.455 . . . . 25.0 109.878 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.17 -48.16 16.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -105.27 -46.35 4.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.314 21.4 m120 -73.56 -16.5 61.26 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 124.962 1.305 . . . . 25.0 112.919 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -47.69 -15.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.801 2.149 . . . . 25.0 116.801 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 CA--C 1.558 1.251 0 CA-C-O 121.945 0.879 . . . . 25.0 110.163 176.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.581 0.705 . . . . 25.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.86 -38.96 69.99 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.342 -0.849 . . . . 25.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -31.42 72.61 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.34 -30.14 60.17 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -70.29 -22.76 62.82 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.45 -54.26 34.64 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -177.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.7 ptp -59.74 -26.11 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.01 -32.61 74.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.424 0.631 . . . . 25.0 110.845 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -77.75 -35.38 51.87 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.379 -0.528 . . . . 25.0 111.216 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.61 -35.76 81.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.4 -39.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.21 74.8 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 123.295 0.372 . . . . 25.0 111.754 -176.32 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG13 ' ND2' ' B' ' 13' ' ' ASN . 33.1 m -86.82 -29.13 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.46 -58.75 3.85 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 122.594 1.187 . . . . 25.0 111.158 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.63 -14.11 62.35 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.834 -1.53 . . . . 25.0 111.049 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.22 75.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.036 -0.728 . . . . 25.0 109.036 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -107.57 -3.32 19.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.487 ' HA ' HD13 ' B' ' 28' ' ' LEU . 78.2 p -61.51 154.79 23.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -174.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.39 9.66 52.75 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.343 0.897 . . . . 25.0 115.343 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -70.85 -29.46 65.6 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.567 1.175 . . . . 25.0 109.526 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' B' ' 22' ' ' GLU . 2.0 pm0 -98.01 -15.0 20.25 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.868 -1.969 . . . . 25.0 112.039 -174.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.13 7.74 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 117.439 1.735 . . . . 25.0 117.439 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.17 151.16 51.97 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.745 2.128 . . . . 25.0 116.745 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -26.87 68.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -175.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.37 9.2 23.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.07 157.37 29.07 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.518 HD12 ' H ' ' B' ' 29' ' ' SER . 2.1 tp -147.95 141.12 25.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.518 ' H ' HD12 ' B' ' 28' ' ' LEU . 79.2 p -70.44 146.43 50.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' B' ' 69' ' ' VAL . 32.4 mttm -56.11 -42.75 77.3 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -56.03 -38.12 70.11 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' B' ' 28' ' ' LEU . 14.1 tp10 -69.46 -40.12 77.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.375 0.607 . . . . 25.0 110.115 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.87 -38.26 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.75 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -60.01 -38.77 83.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.487 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -82.73 -41.25 19.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.41 -31.22 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.849 -0.74 . . . . 25.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -44.15 92.29 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.989 -0.444 . . . . 25.0 110.843 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.55 -22.61 43.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.584 -0.846 . . . . 25.0 111.172 -173.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -31.11 56.29 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.174 0.296 . . . . 25.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -96.96 -44.56 6.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -66.53 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.803 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.86 30.37 1.2 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.96 -56.96 0.08 OUTLIER Glycine 0 C--O 1.224 -0.496 0 CA-C-O 122.057 0.809 . . . . 25.0 113.468 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.505 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.99 -26.97 66.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.598 175.741 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.59 -23.23 17.73 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.661 1.22 . . . . 25.0 109.419 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 -12.35 60.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.494 -1.23 . . . . 25.0 111.867 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.88 141.42 58.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.661 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -123.08 -23.86 4.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -74.7 95.49 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 25.0 110.891 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.88 -34.74 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.37 -37.01 74.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.234 -0.986 . . . . 25.0 110.123 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.62 -50.21 53.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.57 -36.11 75.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.404 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.48 -46.98 74.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.991 0.424 . . . . 25.0 111.031 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -76.96 -24.79 52.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -86.18 -40.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 122.53 0.332 . . . . 25.0 110.614 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.8 mmm -62.96 -41.36 99.51 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.361 -0.936 . . . . 25.0 108.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -72.51 -24.57 61.17 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -70.92 -46.79 61.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -32.85 74.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.614 -1.176 . . . . 25.0 110.4 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.96 -34.3 77.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -85.34 -32.31 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.904 0.859 . . . . 25.0 111.477 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -103.68 3.67 34.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.912 -1.04 . . . . 25.0 113.1 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.09 -31.41 72.83 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.004 0.761 . . . . 25.0 115.004 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -80.46 -1.13 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.735 0.303 . . . . 25.0 111.543 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.71 -160.46 36.57 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.921 -1.672 . . . . 25.0 108.921 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -142.69 148.18 36.91 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -174.018 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.443 HG11 ' HE2' ' B' ' 30' ' ' LYS . 10.5 m -146.49 -179.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.205 -1.361 . . . . 25.0 108.575 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -127.2 -174.26 3.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.404 0.547 . . . . 25.0 112.089 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -56.96 -41.95 79.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -62.94 -39.06 93.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -31.49 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.267 -0.573 . . . . 25.0 111.221 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -68.12 -40.49 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 75' ' ' VAL . 39.7 t -59.09 -37.36 67.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.564 -0.743 . . . . 25.0 111.572 176.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.27 -38.53 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.74 -36.06 83.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.796 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.77 -32.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.133 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.09 -20.57 60.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.74 -36.78 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -43.85 78.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.199 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -68.27 -34.14 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.829 -0.748 . . . . 25.0 109.909 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.4 68.52 Favored 'General case' 0 C--O 1.207 -1.159 0 C-N-CA 119.826 -0.749 . . . . 25.0 109.378 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.61 -42.6 24.59 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -112.67 -33.07 6.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -81.83 -21.16 37.77 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -43.88 -15.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 118.135 2.642 . . . . 25.0 118.135 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 CA--C 1.539 0.529 0 O-C-N 121.987 -0.446 . . . . 25.0 111.411 177.358 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p . . . . . 0 C--O 1.218 -0.596 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -79.7 -18.79 50.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.287 0.565 . . . . 25.0 110.375 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -25.3 66.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -31.18 44.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.242 0.544 . . . . 25.0 111.97 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -25.13 67.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.674 1.226 . . . . 25.0 108.105 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.14 -57.91 9.84 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.41 -0.806 . . . . 25.0 112.488 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -59.26 -27.62 65.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.09 -34.12 76.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 25.0 110.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.2 p -76.2 -36.42 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 111.584 -177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.83 -37.57 88.07 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 108.875 -0.787 . . . . 25.0 108.875 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.69 -39.62 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -47.33 76.98 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 116.677 -0.238 . . . . 25.0 111.283 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 4' ' ' LEU . 21.7 m -81.85 -31.55 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.0 -57.79 6.19 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 122.455 1.121 . . . . 25.0 109.838 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.918 -1.492 . . . . 25.0 111.197 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -98.08 -4.49 35.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -67.83 156.29 37.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.8 41.8 Favored Glycine 0 C--O 1.223 -0.553 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.825 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -67.48 -27.96 67.45 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.585 -0.362 . . . . 25.0 110.405 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -77.97 -27.62 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.668 0.747 . . . . 25.0 110.784 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.6 -30.77 4.14 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 -175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -114.78 160.14 19.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.471 0.653 . . . . 25.0 109.98 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.82 -15.09 26.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.142 1.377 . . . . 25.0 112.087 -168.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -108.58 5.12 24.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.231 1.015 . . . . 25.0 108.803 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.79 157.15 43.62 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -155.16 160.21 40.74 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -82.32 152.2 26.39 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.152 -0.619 . . . . 25.0 109.333 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -58.28 -39.89 80.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.505 0.193 . . . . 25.0 111.137 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -59.21 -35.36 73.49 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.77 -39.83 76.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.525 0.679 . . . . 25.0 109.777 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.05 -38.33 90.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.411 -0.813 . . . . 25.0 110.665 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.07 -41.67 79.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.229 -0.441 . . . . 25.0 110.859 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -82.66 -39.43 22.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.71 -30.25 69.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.13 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.978 -0.451 . . . . 25.0 110.692 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.86 -22.56 36.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.084 -0.646 . . . . 25.0 110.348 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -36.39 55.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.99 -45.16 8.07 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.2 tt -85.49 -58.77 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 25.0 112.123 -172.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p 45.78 26.75 0.39 Allowed 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 117.063 2.246 . . . . 25.0 117.063 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.74 -56.36 0.09 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.853 0.696 . . . . 25.0 113.405 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -70.41 -17.79 63.02 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -174.388 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.96 -25.83 68.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.987 -1.006 . . . . 25.0 109.392 175.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.09 -16.55 17.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 122.875 1.321 . . . . 25.0 109.489 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.02 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.649 -1.16 . . . . 25.0 110.802 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -67.83 129.72 40.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.416 -0.356 . . . . 25.0 111.195 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -115.61 -21.39 9.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.473 0.309 . . . . 25.0 111.452 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -75.65 97.87 3.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 25.0 110.998 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.15 -34.07 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.965 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.4 -37.02 74.4 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.244 -0.982 . . . . 25.0 110.032 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -50.6 57.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.546 -0.538 . . . . 25.0 109.546 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.88 -35.75 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.76 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.64 -42.26 95.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.951 0.405 . . . . 25.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -79.66 -29.31 40.84 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.6 -40.38 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 122.094 0.158 . . . . 25.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtm -63.54 -41.88 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.264 -0.975 . . . . 25.0 109.56 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -72.54 -19.58 61.48 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.498 -0.481 . . . . 25.0 112.261 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -49.04 17.94 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -32.2 73.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.128 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -66.42 -34.46 78.01 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 121.765 -0.585 . . . . 25.0 112.126 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -85.69 -32.7 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.728 0.775 . . . . 25.0 112.104 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -106.67 4.56 27.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 25.0 113.595 -169.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.6 67.32 Favored Glycine 0 CA--C 1.508 -0.403 0 CA-C-N 116.46 -0.336 . . . . 25.0 113.661 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.08 2.48 39.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.75 -178.34 35.09 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 106.48 -2.648 . . . . 25.0 106.48 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 148.95 48.32 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 113.223 -1.489 . . . . 25.0 113.996 -169.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.49 -178.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 113.879 -1.51 . . . . 25.0 109.727 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -131.1 -174.13 3.3 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.118 -0.364 . . . . 25.0 110.919 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.01 -38.78 73.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.8 tt0 -66.37 -40.85 89.98 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -177.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.02 -31.55 70.44 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.593 -0.692 . . . . 25.0 110.462 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -67.73 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.671 -0.643 . . . . 25.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.55 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -63.52 -28.41 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 121.873 -0.517 . . . . 25.0 111.227 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.57 -40.08 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.68 -34.26 77.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.53 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.41 -33.21 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 119.389 -0.924 . . . . 25.0 109.578 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -20.67 63.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.769 -0.582 . . . . 25.0 111.926 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.55 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.58 -37.18 71.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -45.39 76.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.773 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.9 m -68.91 -32.04 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.212 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.81 -25.45 59.04 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.626 -0.671 . . . . 25.0 110.511 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -84.09 -52.66 6.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -104.55 -42.12 5.52 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -170.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 121.678 -0.639 . . . . 25.0 109.33 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.9 -21.9 0.16 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.575 1.694 . . . . 25.0 115.575 175.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.314 -0.957 0 CA-C-N 115.597 -0.729 . . . . 25.0 112.52 174.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 121.375 0.607 . . . . 25.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.38 -42.13 88.37 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.78 -0.575 . . . . 25.0 112.516 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.47 HD22 HG11 ' A' ' 14' ' ' VAL . 2.2 pt? -68.27 -28.47 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.96 -30.59 31.64 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.873 -0.731 . . . . 25.0 111.702 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.9 m -67.63 -22.39 65.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.548 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.24 -56.74 14.12 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.699 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.2 ptp -61.42 -24.16 66.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.97 -32.24 73.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.517 0.675 . . . . 25.0 110.626 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.8 p -75.08 -38.69 61.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.236 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -37.24 86.03 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.17 -42.01 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.7 77.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -176.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -85.49 -29.93 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -68.14 -59.51 3.18 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.134 0.969 . . . . 25.0 110.112 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -66.63 -19.08 65.69 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.093 -1.412 . . . . 25.0 110.991 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.67 91.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.383 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -105.43 -4.16 21.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.54 157.61 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.1 1.518 . . . . 25.0 115.1 -174.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.81 -8.65 31.91 Favored Glycine 0 CA--C 1.508 -0.35 0 CA-C-N 114.99 -1.004 . . . . 25.0 112.672 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.69 -38.04 86.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.27 41.76 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 125.267 2.461 . . . . 25.0 116.031 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 -30.74 6.66 Favored Glycine 0 C--N 1.286 -2.206 0 CA-C-N 112.141 -2.299 . . . . 25.0 115.248 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.09 157.2 46.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.315 1.055 . . . . 25.0 112.33 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -66.14 -16.33 63.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.489 1.515 . . . . 25.0 113.957 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -107.35 11.12 29.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.265 0.555 . . . . 25.0 110.284 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.32 149.24 52.1 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.771 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.0 mt -154.41 157.28 38.25 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.3 p -76.27 156.47 33.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -58.15 -42.56 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.964 -0.294 . . . . 25.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -59.35 -38.75 81.17 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.96 -36.19 83.14 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.332 0.586 . . . . 25.0 110.809 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.28 -38.34 87.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.546 . . . . 25.0 110.371 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 -34.13 76.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.62 -42.3 52.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.675 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.31 -30.81 62.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.728 -0.608 . . . . 25.0 110.952 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.34 -42.02 99.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.79 -0.569 . . . . 25.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.05 -22.29 45.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.602 -174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -32.32 44.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.438 0.461 . . . . 25.0 111.469 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -98.47 -45.13 6.23 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 114.09 1.144 . . . . 25.0 114.09 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.688 HD22 ' H ' ' B' ' 44' ' ' PHE . 1.5 tt -81.49 -59.03 2.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.062 -174.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 46.73 26.08 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.78 -57.65 0.1 OUTLIER Glycine 0 C--O 1.226 -0.387 0 CA-C-O 121.937 0.743 . . . . 25.0 113.232 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.688 ' H ' HD22 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -68.2 -23.19 64.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -174.3 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.487 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.78 -24.94 67.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.167 -0.924 . . . . 25.0 110.59 177.589 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.74 -19.63 14.67 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.723 1.249 . . . . 25.0 109.332 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.88 -2.54 37.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.491 -1.231 . . . . 25.0 112.051 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -70.75 143.52 51.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.775 0.321 . . . . 25.0 111.351 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -116.73 -27.21 6.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.609 0.364 . . . . 25.0 111.812 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -76.17 92.66 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 25.0 110.948 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.51 -35.07 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.05 -38.16 75.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.282 -0.967 . . . . 25.0 109.939 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.45 59.01 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -64.41 -36.03 76.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.535 -0.466 . . . . 25.0 110.361 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.27 -48.43 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.895 0.379 . . . . 25.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -75.14 -28.99 60.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -86.68 -40.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.968 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.1 mtm -65.6 -33.42 75.86 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 118.918 -1.113 . . . . 25.0 110.077 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -75.95 -28.64 58.01 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.805 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.6 -48.6 66.35 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 106.29 -1.744 . . . . 25.0 106.29 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -30.15 71.35 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.891 -1.049 . . . . 25.0 110.796 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.62 -38.08 77.1 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.531 -0.731 . . . . 25.0 112.583 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.33 -31.39 26.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.721 0.772 . . . . 25.0 110.701 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -100.43 6.34 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.015 -0.993 . . . . 25.0 112.024 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.74 -26.76 67.31 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.745 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.65 2.95 35.01 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 123.899 0.411 . . . . 25.0 111.552 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.32 -179.1 34.11 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 107.861 -2.095 . . . . 25.0 107.861 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -117.52 141.22 48.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 112.9 -1.65 . . . . 25.0 114.471 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 m -148.16 -178.76 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.52 -1.218 . . . . 25.0 111.15 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -133.04 -174.16 3.4 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -171.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.29 -39.52 72.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.6 -38.3 90.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.79 -38.5 91.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 25.0 110.154 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -63.69 -40.87 97.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 25.0 109.119 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.55 HG12 HG13 ' A' ' 75' ' ' VAL . 18.1 t -58.4 -38.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.025 175.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.17 -39.19 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.95 -35.4 79.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -74.94 -33.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.2 -20.61 61.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.73 -35.02 75.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.08 -37.36 72.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -42.26 80.41 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.04 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.521 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.9 m -68.48 -34.94 68.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.192 -1.003 . . . . 25.0 110.044 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.9 60.21 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.71 -0.618 . . . . 25.0 110.343 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.63 -43.36 13.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.98 -34.57 3.5 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.782 1.401 . . . . 25.0 114.782 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -69.17 -17.92 63.87 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 177.484 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -15.64 0.15 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.714 1.746 . . . . 25.0 115.714 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 123.149 0.58 . . . . 25.0 111.892 172.712 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.236 0.342 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.69 -46.79 89.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.25 -32.73 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.03 -23.09 36.1 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 119.921 -0.712 . . . . 25.0 111.464 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -74.4 -22.27 59.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.34 -57.24 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 175.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.417 ' H ' ' HG2' ' A' ' 8' ' ' MET . 14.8 ptp -60.94 -24.42 66.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.0 -31.35 72.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.405 0.622 . . . . 25.0 110.082 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 31.0 p -77.44 -37.65 51.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.085 -0.385 . . . . 25.0 111.182 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -37.07 86.35 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.17 -42.73 94.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -46.19 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.103 0.252 . . . . 25.0 111.282 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -84.67 -31.27 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.94 -56.96 7.95 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.619 1.199 . . . . 25.0 110.613 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -70.85 -18.1 62.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.55 -1.659 . . . . 25.0 111.418 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.63 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.784 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.99 -5.96 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -60.82 154.71 21.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 115.396 1.628 . . . . 25.0 115.396 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 6.07 49.83 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.454 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.28 -28.38 64.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.212 -0.581 . . . . 25.0 110.867 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -26.53 23.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.85 -30.87 4.06 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-O 118.792 -1.004 . . . . 25.0 115.58 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.05 156.38 16.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.401 1.6 . . . . 25.0 111.149 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.34 -21.74 58.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 -174.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.64 11.87 29.95 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.232 0.539 . . . . 25.0 111.728 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -132.77 154.74 49.95 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -171.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.5 mt -152.8 158.54 42.39 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -83.86 151.49 25.1 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -57.24 -40.06 76.82 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -58.36 -34.33 70.56 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -69.16 -38.98 79.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.052 0.453 . . . . 25.0 110.038 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.79 -37.95 89.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.555 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.87 -38.05 86.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 25.0 110.228 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -42.81 24.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.18 -30.88 70.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.568 . . . . 25.0 109.767 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.14 -45.18 89.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.772 -0.58 . . . . 25.0 109.793 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -78.09 -22.48 48.89 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.135 -0.626 . . . . 25.0 111.585 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 -27.16 40.89 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.79 -44.89 5.4 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -86.3 -61.03 1.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.799 -175.509 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.73 23.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.69 -56.61 0.11 Allowed Glycine 0 C--O 1.226 -0.374 0 CA-C-O 121.848 0.693 . . . . 25.0 112.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.48 -19.54 62.93 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 114.065 1.135 . . . . 25.0 114.065 -173.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -25.48 68.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.18 -0.918 . . . . 25.0 109.62 176.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -102.35 -18.56 15.36 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.731 1.253 . . . . 25.0 109.367 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.82 -12.62 61.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.73 -1.123 . . . . 25.0 110.419 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.42 133.51 52.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.643 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -117.83 -21.81 8.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.551 0.34 . . . . 25.0 111.411 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -74.52 97.21 3.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.42 0.629 . . . . 25.0 111.503 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.25 -34.24 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 25.0 112.062 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -70.34 -37.98 74.77 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.336 -0.946 . . . . 25.0 110.168 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.99 60.64 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.65 -35.88 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.709 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.25 -40.61 94.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.093 -0.379 . . . . 25.0 110.799 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -80.93 -31.36 35.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -81.53 -39.79 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 mtm -63.57 -42.78 98.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.42 -0.912 . . . . 25.0 110.062 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.38 -32.02 71.8 Favored 'General case' 0 C--O 1.204 -1.312 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.134 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -48.48 71.68 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -32.83 74.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.389 -0.823 . . . . 25.0 110.879 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.05 -35.12 76.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.61 -35.53 33.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.072 0.939 . . . . 25.0 110.907 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -103.55 6.28 37.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.26 -32.44 67.75 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 114.801 0.68 . . . . 25.0 114.801 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -86.25 3.33 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.968 0.359 . . . . 25.0 111.968 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.54 -166.05 42.03 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 107.513 -2.235 . . . . 25.0 107.513 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -128.98 146.83 50.87 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.622 -0.789 . . . . 25.0 112.777 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.65 178.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.28 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -131.92 -174.22 3.36 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.562 0.345 . . . . 25.0 110.551 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.28 -41.62 76.18 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.16 -38.77 91.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.33 -31.18 69.46 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.242 -0.912 . . . . 25.0 110.744 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -40.59 85.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.611 0.719 . . . . 25.0 109.19 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.732 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.5 -37.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.309 176.026 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.02 -41.24 81.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.26 -34.64 78.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.157 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.75 -34.16 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.307 -0.957 . . . . 25.0 109.085 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -20.7 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.941 -0.475 . . . . 25.0 111.542 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.76 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.61 -36.75 73.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -45.42 75.22 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.593 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.8 m -68.95 -32.62 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 119.648 -0.821 . . . . 25.0 110.792 -177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.44 62.35 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.01 -0.431 . . . . 25.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.99 -51.83 6.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -101.9 -50.21 3.74 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.611 -169.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -61.25 -20.72 63.16 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.464 -0.334 . . . . 25.0 111.392 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -41.1 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 118.092 2.627 . . . . 25.0 118.092 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.4 t80 . . . . . 0 CA--C 1.556 1.189 0 O-C-N 121.507 -0.745 . . . . 25.0 111.759 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.224 0.535 . . . . 25.0 110.247 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.08 -38.87 92.16 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.551 -0.718 . . . . 25.0 109.487 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -28.34 68.58 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.14 -25.26 34.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.881 -0.728 . . . . 25.0 111.111 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.3 m -69.07 -22.25 64.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.13 -58.31 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 25.0 112.017 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -58.81 -27.53 65.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.28 -35.94 76.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.648 0.737 . . . . 25.0 110.817 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.6 p -73.63 -38.55 65.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.745 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -36.89 85.13 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.055 -0.72 . . . . 25.0 109.055 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.62 -40.97 90.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -45.05 79.29 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 123.442 0.464 . . . . 25.0 111.35 -175.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.2 -33.21 9.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.962 0 CA-C-O 123.848 1.785 . . . . 25.0 113.664 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.26 -56.17 7.43 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 122.789 1.281 . . . . 25.0 111.762 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -69.37 -17.16 63.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.976 -1.465 . . . . 25.0 110.178 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.88 81.43 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -101.68 -8.97 21.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.6 m -63.45 161.82 13.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.91 -1.64 48.19 Favored Glycine 0 C--O 1.221 -0.664 0 CA-C-N 115.946 -0.57 . . . . 25.0 112.552 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -72.79 -28.4 62.56 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.297 -0.531 . . . . 25.0 112.285 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -26.69 37.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.79 -31.21 3.99 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.348 -0.842 . . . . 25.0 113.745 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -96.78 148.8 22.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.696 1.248 . . . . 25.0 110.405 171.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -16.4 61.97 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.45 6.64 30.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.13 0.491 . . . . 25.0 110.797 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -117.76 148.9 41.61 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 122.159 0.98 . . . . 25.0 110.335 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -149.15 150.24 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -79.6 153.08 29.69 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -57.28 -44.62 84.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 121.156 -0.218 . . . . 25.0 111.051 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.2 -38.91 71.62 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.97 -36.46 82.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.431 0.634 . . . . 25.0 110.86 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.19 -36.07 82.42 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.619 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -63.95 -37.77 88.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.29 -42.64 44.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.678 -174.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.27 -31.9 68.06 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.87 -0.732 . . . . 25.0 109.816 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.19 95.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.752 -0.592 . . . . 25.0 110.249 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.52 -22.75 53.99 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.876 -0.73 . . . . 25.0 110.893 -174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.77 -32.6 25.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.99 -38.87 12.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.568 0.699 . . . . 25.0 112.227 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.48 -62.75 1.42 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.855 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m 46.92 33.4 2.21 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.9 -47.54 0.07 OUTLIER Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.325 -0.464 . . . . 25.0 112.78 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.45 -15.49 61.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -176.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.521 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.093 174.515 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -103.03 -28.49 11.96 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 123.452 1.596 . . . . 25.0 111.131 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.05 -22.23 61.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.801 -1.545 . . . . 25.0 113.774 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.91 133.5 51.03 Favored 'General case' 0 C--O 1.186 -2.246 0 C-N-CA 124.214 1.005 . . . . 25.0 110.465 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -116.89 -28.54 6.27 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -76.09 91.22 3.1 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.48 -35.28 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.858 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -38.83 79.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.496 -0.882 . . . . 25.0 110.288 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.35 -52.15 55.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.349 0.595 . . . . 25.0 109.4 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -67.11 -33.88 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.615 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.46 -46.75 81.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.382 0.61 . . . . 25.0 110.281 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.58 -28.47 61.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.874 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -82.78 -41.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 122.435 0.294 . . . . 25.0 111.309 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.2 mmt -66.31 -39.12 89.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.047 -1.033 . . . . 25.0 109.976 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -70.53 -28.02 64.61 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 119.543 -0.863 . . . . 25.0 110.473 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -67.78 -46.97 70.47 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.889 -1.893 . . . . 25.0 105.889 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -33.6 74.67 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 114.826 -1.079 . . . . 25.0 110.703 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -69.99 -35.69 74.6 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 113.289 0.848 . . . . 25.0 113.289 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.17 -34.79 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.13 0.967 . . . . 25.0 110.502 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -100.67 6.85 44.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.507 -1.224 . . . . 25.0 112.934 -172.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.64 66.62 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 114.585 0.594 . . . . 25.0 114.585 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 0.63 31.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.715 0.265 . . . . 25.0 111.715 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.3 -159.6 34.18 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.07 151.33 51.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.291 -0.455 . . . . 25.0 112.125 -173.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.63 174.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 108.998 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.5 -174.22 3.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.54 -44.04 84.88 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -61.18 -41.81 97.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.01 -29.23 69.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.883 0.373 . . . . 25.0 111.263 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -69.04 -40.62 78.48 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.924 -0.71 . . . . 25.0 109.487 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.732 HG12 HG13 ' A' ' 75' ' ' VAL . 86.6 t -61.16 -36.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.122 177.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.99 -39.11 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.55 0.691 . . . . 25.0 109.405 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.55 -35.74 80.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.921 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.0 -30.19 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.277 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.86 61.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.516 0.674 . . . . 25.0 109.184 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.57 -35.37 46.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 25.0 109.887 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -46.4 76.59 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -64.51 -36.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.79 63.39 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.32 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.59 -49.77 9.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -106.91 -34.48 7.2 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -82.63 -16.04 49.83 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.791 -0.568 . . . . 25.0 110.253 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.9 -19.32 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 118.864 2.913 . . . . 25.0 118.864 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 C--N 1.316 -0.89 0 C-N-CA 123.337 0.655 . . . . 25.0 111.341 179.318 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 120.742 0.306 . . . . 25.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.03 -29.68 64.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -29.68 69.98 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -174.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.81 -23.64 36.38 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.481 -0.488 . . . . 25.0 111.976 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.455 -0.942 . . . . 25.0 108.455 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.529 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.89 -55.82 20.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.176 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.0 ptp -57.64 -25.76 60.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.23 -31.31 72.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.581 0.705 . . . . 25.0 110.984 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.9 p -77.06 -37.55 54.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 25.0 111.171 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.36 80.51 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -60.59 -42.98 93.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 25.0 109.775 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.06 74.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.433 0.458 . . . . 25.0 111.495 -176.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -86.83 -31.08 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.964 0.728 . . . . 25.0 112.964 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.88 -56.68 7.16 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.519 1.152 . . . . 25.0 110.421 -175.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -71.91 -16.63 62.12 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.804 -1.544 . . . . 25.0 111.969 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.74 92.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.053 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -100.52 -7.43 24.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.427 ' HA ' HD13 ' A' ' 28' ' ' LEU . 65.1 m -64.35 153.73 37.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.546 0.688 . . . . 25.0 110.634 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 -18.89 40.01 Favored Glycine 0 C--O 1.224 -0.502 0 C-N-CA 120.813 -0.708 . . . . 25.0 112.294 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.01 -25.85 68.03 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.507 -0.408 . . . . 25.0 111.29 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.45 -25.89 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.396 0.617 . . . . 25.0 111.114 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.48 -25.96 5.29 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.375 -0.69 . . . . 25.0 111.375 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -120.77 154.56 35.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.203 0.525 . . . . 25.0 110.66 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -8.43 57.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -171.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.93 6.92 25.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -128.99 154.79 46.27 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.295 -1.32 . . . . 25.0 109.433 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.7 tp -158.35 141.81 15.18 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 p -72.67 149.15 44.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.148 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -54.17 -43.14 70.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -56.4 -38.1 71.06 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.74 -39.25 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 25.0 109.822 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.08 -37.6 88.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.949 -0.568 . . . . 25.0 110.399 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.91 -30.91 71.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.549 0.214 . . . . 25.0 110.489 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.76 -46.25 13.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.642 -0.254 . . . . 25.0 111.389 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.34 -31.45 71.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.782 -0.574 . . . . 25.0 110.735 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.84 -42.75 99.86 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.059 -0.401 . . . . 25.0 109.955 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.84 -22.8 36.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.671 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -32.51 66.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.528 -0.306 . . . . 25.0 110.49 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.89 -45.13 6.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -65.69 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -171.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m 42.68 35.64 0.72 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.62 -52.23 0.06 OUTLIER Glycine 0 C--O 1.223 -0.541 0 CA-C-O 122.044 0.802 . . . . 25.0 112.809 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -13.68 61.36 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -175.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.02 -24.04 67.38 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.192 -0.913 . . . . 25.0 108.952 176.021 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.19 -23.45 17.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.921 1.343 . . . . 25.0 109.061 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 -11.3 59.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.1 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.15 139.26 58.66 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.299 -0.25 . . . . 25.0 110.89 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -123.24 -30.61 3.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.292 -0.255 . . . . 25.0 111.273 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.26 87.83 4.94 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.8 -0.444 . . . . 25.0 109.8 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.84 -34.16 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.43 -30.93 70.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 25.0 111.144 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -56.36 4.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.132 0.491 . . . . 25.0 110.029 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.43 -32.81 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.95 -44.85 88.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.21 0.528 . . . . 25.0 110.084 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -32.45 72.29 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.853 -176.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.83 -44.19 32.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 116.175 -0.466 . . . . 25.0 109.806 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.623 -0.673 . . . . 25.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -23.55 56.72 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.003 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -42.94 62.04 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.904 -1.888 . . . . 25.0 105.904 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -29.43 70.76 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.56 -1.2 . . . . 25.0 110.598 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.17 -33.28 74.17 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.29 -0.881 . . . . 25.0 111.504 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -87.27 -30.9 20.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.786 0.803 . . . . 25.0 111.84 -178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -109.53 5.79 23.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.854 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -30.15 71.16 Favored Glycine 0 CA--C 1.505 -0.553 0 CA-C-N 115.919 -0.582 . . . . 25.0 113.562 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.91 -0.84 41.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.09 -163.88 39.82 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.876 -1.29 . . . . 25.0 109.876 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -127.78 147.81 50.42 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.911 -1.145 . . . . 25.0 112.071 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.45 176.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.15 -174.12 3.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -56.42 -41.44 76.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.922 0.342 . . . . 25.0 111.922 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -61.62 -43.13 99.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.136 -0.32 . . . . 25.0 110.136 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.5 67.14 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.041 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -66.45 -40.81 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.458 -0.776 . . . . 25.0 109.295 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.07 -37.26 76.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.178 -0.464 . . . . 25.0 111.244 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.82 -37.35 73.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.35 -36.64 83.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.114 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.12 -30.96 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 119.501 -0.88 . . . . 25.0 108.689 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.08 -20.59 62.34 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.78 69.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.84 -37.98 58.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -45.16 82.21 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.333 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.4 m -69.99 -30.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.738 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.36 -24.78 60.37 Favored 'General case' 0 C--O 1.197 -1.662 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -86.85 -51.37 6.11 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -108.37 -49.41 3.19 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -169.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -63.18 -20.1 65.1 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 118.979 -0.534 . . . . 25.0 111.514 178.484 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -41.34 -18.32 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.677 2.843 . . . . 25.0 118.677 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 123.878 0.871 . . . . 25.0 111.187 178.035 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.245 0.545 . . . . 25.0 110.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -37.07 86.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.311 0.577 . . . . 25.0 109.661 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.16 -31.33 72.11 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -175.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -81.8 -22.66 37.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.099 -0.64 . . . . 25.0 111.228 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -73.15 -22.03 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.75 -54.39 44.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.59 . . . . 25.0 112.456 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.33 -35.99 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.447 0.641 . . . . 25.0 110.79 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.3 p -71.82 -38.87 70.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.145 0.498 . . . . 25.0 110.99 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.77 -36.7 84.29 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.71 -38.19 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -46.59 77.28 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.135 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.87 -29.04 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.28 -57.0 5.89 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.271 1.034 . . . . 25.0 110.735 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -72.37 -15.07 61.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.98 -1.464 . . . . 25.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -117.91 7.42 12.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -67.97 158.99 31.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.622 0.725 . . . . 25.0 109.582 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.32 63.01 Favored Glycine 0 CA--C 1.505 -0.589 0 C-N-CA 120.501 -0.857 . . . . 25.0 111.811 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.73 -22.32 63.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.628 -0.337 . . . . 25.0 110.426 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.72 -27.44 50.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.447 0.641 . . . . 25.0 110.071 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.63 -28.52 4.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.588 -0.733 . . . . 25.0 111.295 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -116.06 149.57 38.71 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.496 1.141 . . . . 25.0 113.059 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -26.73 67.44 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 126.621 1.968 . . . . 25.0 115.441 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -114.55 17.71 17.15 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 122.475 1.131 . . . . 25.0 110.441 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -133.92 154.91 50.75 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.456 -1.702 . . . . 25.0 109.306 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' B' ' 32' ' ' GLU . 7.4 tp -156.33 142.68 18.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.1 p -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.752 0.31 . . . . 25.0 110.399 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -55.15 -44.44 75.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.497 -0.32 . . . . 25.0 111.524 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -58.75 -37.95 77.37 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' B' ' 28' ' ' LEU . 1.3 tp10 -69.06 -37.21 78.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.457 0.646 . . . . 25.0 110.528 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.79 -37.32 87.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.366 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.9 -35.7 79.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.77 -0.195 . . . . 25.0 110.82 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -79.31 -40.19 31.0 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.716 -0.394 . . . . 25.0 112.054 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.32 -31.69 69.11 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.417 -0.802 . . . . 25.0 109.731 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.59 -43.37 97.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.057 -0.402 . . . . 25.0 110.484 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.84 -22.69 45.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.994 -0.682 . . . . 25.0 111.016 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -32.03 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 25.0 111.21 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -97.29 -45.32 6.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -66.93 0.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.51 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 45.46 32.76 1.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -52.32 0.06 OUTLIER Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.795 0.664 . . . . 25.0 112.845 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -13.81 61.65 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.483 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.82 -23.56 67.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.405 175.358 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.93 -14.92 19.33 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.849 1.309 . . . . 25.0 109.24 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.69 -7.03 59.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.55 -1.205 . . . . 25.0 112.211 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.4 139.98 55.8 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.262 -0.274 . . . . 25.0 110.745 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -122.0 -31.85 3.82 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.237 -0.29 . . . . 25.0 110.872 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -78.05 93.8 4.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.07 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.713 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.35 -38.49 78.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.562 -0.855 . . . . 25.0 110.316 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -54.42 38.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.557 0.694 . . . . 25.0 109.356 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.82 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.97 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.48 -45.04 80.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 25.0 110.406 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -71.5 -27.82 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.42 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.3 -42.99 20.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.29 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.66 -38.64 89.89 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.361 -0.837 . . . . 25.0 110.555 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -22.28 61.48 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.934 -0.706 . . . . 25.0 110.975 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 -47.51 27.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -29.38 70.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 25.0 111.923 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -35.88 73.48 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.613 -0.68 . . . . 25.0 111.923 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -85.52 -31.0 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.852 0.834 . . . . 25.0 111.892 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -104.43 6.52 35.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.577 -1.192 . . . . 25.0 112.85 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.52 71.79 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.03 -0.532 . . . . 25.0 114.409 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.04 4.41 30.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.129 0.465 . . . . 25.0 111.636 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.01 -162.62 37.85 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 109.305 -1.518 . . . . 25.0 109.305 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.83 146.03 51.47 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.72 -0.74 . . . . 25.0 112.947 -172.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.29 176.84 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.779 -0.646 . . . . 25.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.67 -174.18 3.23 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.51 0.324 . . . . 25.0 110.434 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.23 -38.67 71.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.422 ' HB2' HG11 ' A' ' 83' ' ' VAL . 18.9 tt0 -67.48 -39.78 85.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.072 0.463 . . . . 25.0 109.885 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.26 -29.81 66.68 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.129 -0.629 . . . . 25.0 110.142 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.94 -44.32 69.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.183 -0.948 . . . . 25.0 110.482 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -63.14 -31.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 122.026 -0.421 . . . . 25.0 111.95 -177.733 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.31 -28.66 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 121.364 -0.835 . . . . 25.0 109.73 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.37 -27.93 68.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 25.0 110.16 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.26 -32.6 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 118.994 -1.082 . . . . 25.0 109.857 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.66 63.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.99 -0.444 . . . . 25.0 111.585 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 -32.46 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.42 0.629 . . . . 25.0 109.743 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.88 -35.05 62.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.382 -0.599 . . . . 25.0 109.382 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.54 77.99 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 112.211 0.449 . . . . 25.0 112.211 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.8 m -68.4 -33.55 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.108 -1.037 . . . . 25.0 110.279 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.39 65.28 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.948 -0.47 . . . . 25.0 109.749 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -81.53 -43.29 18.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.072 1.138 . . . . 25.0 114.072 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -114.38 -41.94 3.39 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -68.14 -20.58 64.91 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 119.151 -0.452 . . . . 25.0 111.91 -177.697 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -47.17 -15.64 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 117.052 2.241 . . . . 25.0 117.052 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 CA--C 1.544 0.723 0 O-C-N 121.845 -0.534 . . . . 25.0 111.623 174.356 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.54 -24.91 67.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.953 0.406 . . . . 25.0 110.181 172.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -31.27 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -80.02 -23.82 41.2 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.312 0.577 . . . . 25.0 112.536 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.09 -20.76 59.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 122.275 1.036 . . . . 25.0 108.574 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.63 -56.36 17.92 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.266 1.209 . . . . 25.0 114.266 -176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -33.91 63.12 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.268 0.627 . . . . 25.0 112.223 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.564 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 60.5 p -72.66 -38.12 67.73 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.883 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.02 -36.86 83.05 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 108.48 -0.934 . . . . 25.0 108.48 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.73 -39.12 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -46.58 77.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.403 0.149 . . . . 25.0 111.403 -178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -83.29 -31.8 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 121.212 0.529 . . . . 25.0 112.215 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.14 -56.72 6.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.393 1.092 . . . . 25.0 111.162 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.83 -16.13 62.7 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.635 -1.62 . . . . 25.0 110.924 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.55 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -106.68 -1.96 22.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.459 ' HA ' HD13 ' A' ' 28' ' ' LEU . 93.5 p -66.76 161.44 23.61 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -174.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.65 62.78 Favored Glycine 0 N--CA 1.462 0.37 0 C-N-CA 120.978 -0.63 . . . . 25.0 113.823 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -68.8 -29.14 67.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.275 0.56 . . . . 25.0 111.408 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.91 0.13 27.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 25.0 110.906 -173.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.61 -25.99 5.24 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 118.194 2.037 . . . . 25.0 118.194 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -128.94 152.74 48.23 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.99 -28.51 68.32 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 113.955 -1.475 . . . . 25.0 114.455 -171.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -110.12 13.89 23.06 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.455 1.121 . . . . 25.0 110.368 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.35 162.91 29.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.787 -1.551 . . . . 25.0 107.814 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.8 tp -158.88 154.06 25.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.441 ' H ' HD12 ' A' ' 28' ' ' LEU . 81.5 p -79.32 149.67 31.68 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.09 -40.47 81.22 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.013 -0.43 . . . . 25.0 111.887 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -58.67 -38.45 78.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.93 -40.13 79.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.31 -40.58 96.78 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.846 -0.615 . . . . 25.0 110.79 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.12 -38.39 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.011 0.434 . . . . 25.0 110.067 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.64 -44.83 40.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.166 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.72 -31.31 70.29 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.198 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.47 -41.98 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.884 -0.51 . . . . 25.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.06 -22.26 36.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.914 -0.714 . . . . 25.0 110.376 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.51 56.49 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.649 -0.25 . . . . 25.0 110.915 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.66 -45.01 8.27 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 -63.33 1.32 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.365 -174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.8 t 46.09 29.81 0.85 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.199 1.555 . . . . 25.0 115.199 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.8 -55.19 0.09 OUTLIER Glycine 0 C--N 1.333 0.392 0 CA-C-O 121.555 0.531 . . . . 25.0 113.245 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -174.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -24.68 67.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.705 -1.134 . . . . 25.0 110.262 177.717 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -100.13 -19.81 16.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.546 1.165 . . . . 25.0 109.018 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.66 -13.51 61.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -63.47 138.98 58.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.455 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -123.52 -24.7 4.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.892 0.477 . . . . 25.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -73.54 100.94 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 25.0 111.909 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.06 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 123.357 0.663 . . . . 25.0 112.195 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.95 -39.72 75.89 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.321 -0.951 . . . . 25.0 110.391 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -50.0 64.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.66 -35.61 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.544 -0.463 . . . . 25.0 110.147 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.41 -43.35 85.97 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.238 -0.585 . . . . 25.0 111.289 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.23 -34.85 49.02 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.23 -39.33 28.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.764 -0.198 . . . . 25.0 110.796 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.14 -36.45 77.47 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 118.612 -1.235 . . . . 25.0 110.52 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -26.57 61.25 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.901 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -48.51 62.78 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.727 -1.582 . . . . 25.0 106.727 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -32.43 73.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.641 -0.709 . . . . 25.0 111.097 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.35 -38.18 87.03 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.002 -0.436 . . . . 25.0 111.616 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.15 -29.12 25.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.154 0.502 . . . . 25.0 111.249 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.43 5.38 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -171.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.08 -32.67 67.39 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 114.474 0.55 . . . . 25.0 114.474 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -80.84 -2.96 49.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.46 -169.61 46.09 Favored Glycine 0 N--CA 1.434 -1.482 0 N-CA-C 109.311 -1.516 . . . . 25.0 109.311 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.81 145.28 50.29 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 113.396 -1.402 . . . . 25.0 112.007 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.9 -179.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.517 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.23 -174.08 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.24 -0.281 . . . . 25.0 110.24 -174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -57.23 -40.98 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' O ' HG12 ' A' ' 75' ' ' VAL . 22.1 tt0 -63.9 -40.23 96.02 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.7 -36.18 78.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.864 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -64.02 -41.23 97.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.782 -0.574 . . . . 25.0 110.638 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -63.51 -25.94 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' B' ' 76' ' ' VAL . 43.1 t -73.85 -41.22 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.75 -34.9 78.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.47 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -78.59 -33.68 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 119.693 -0.803 . . . . 25.0 109.927 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -20.55 61.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.948 -0.47 . . . . 25.0 111.388 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.52 0.676 . . . . 25.0 109.325 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -69.77 -37.41 76.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.79 -45.48 74.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.751 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.51 -32.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.783 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.2 -27.51 64.55 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 120.156 -0.618 . . . . 25.0 109.72 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.42 -53.21 6.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -101.44 -38.23 8.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 -169.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -19.52 62.34 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -40.95 -25.39 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.877 2.177 . . . . 25.0 116.877 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.315 -0.929 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 176.576 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.032 0.444 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.64 -37.63 88.05 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.0 -22.44 39.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 119.321 -0.951 . . . . 25.0 111.697 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 m -69.84 -22.36 63.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.564 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.22 -58.72 6.09 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.76 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 118.122 0.419 . . . . 25.0 111.843 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.28 -35.53 71.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.492 . . . . 25.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 49.3 p -72.16 -40.25 68.12 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 25.0 110.931 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -37.93 87.52 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.8 -41.01 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -46.46 72.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.27 -30.78 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.07 -54.47 25.34 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.755 1.264 . . . . 25.0 110.34 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -68.41 -28.9 67.49 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 113.245 -1.798 . . . . 25.0 110.363 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.37 78.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 120.506 -0.477 . . . . 25.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -101.87 -1.11 32.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.463 ' HA ' HD13 ' B' ' 28' ' ' LEU . 79.3 p -67.1 166.03 14.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.87 -10.73 64.31 Favored Glycine 0 C--O 1.222 -0.643 0 C-N-CA 120.745 -0.74 . . . . 25.0 112.848 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -61.12 -35.19 76.37 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-O 121.73 0.776 . . . . 25.0 110.842 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -75.53 -25.79 57.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.425 -1.261 . . . . 25.0 112.064 -176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -24.86 5.45 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -126.57 159.57 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -8.08 43.63 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.455 1.28 . . . . 25.0 114.455 -174.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -100.64 -7.14 24.22 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -115.57 155.73 27.06 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.391 -1.731 . . . . 25.0 106.984 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.9 tp -159.66 148.62 17.83 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.676 -1.972 . . . . 25.0 105.676 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 81.0 p -73.89 151.73 40.37 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.253 -176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -57.94 -44.6 87.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.378 -0.201 . . . . 25.0 110.983 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -55.39 -40.42 71.36 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.54 -39.21 91.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.619 0.723 . . . . 25.0 110.144 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.74 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.814 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -67.11 -32.87 74.31 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.923 -0.311 . . . . 25.0 110.287 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -75.79 -46.66 29.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.463 0.171 . . . . 25.0 111.463 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.69 -31.73 71.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.671 -0.643 . . . . 25.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.812 -0.555 . . . . 25.0 110.701 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.08 -22.45 42.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.799 -174.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -34.25 40.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.664 0.268 . . . . 25.0 111.089 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -94.56 -45.1 7.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.327 -176.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t 44.38 39.05 2.84 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 -46.19 0.06 OUTLIER Glycine 0 C--O 1.222 -0.633 0 CA-C-O 121.507 0.504 . . . . 25.0 112.78 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -16.0 62.79 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.836 -0.803 . . . . 25.0 112.909 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -65.46 -23.42 66.91 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.82 176.826 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.36 -13.6 23.12 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 123.251 1.5 . . . . 25.0 108.85 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.99 -5.49 56.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.203 -1.362 . . . . 25.0 112.077 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.403 ' HB3' HG11 ' B' ' 54' ' ' VAL . 4.2 mt-30 -72.84 123.84 24.19 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.177 -0.327 . . . . 25.0 110.309 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -110.64 -24.34 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.492 -0.13 . . . . 25.0 110.909 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -85.66 85.85 7.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.85 -33.44 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.907 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.93 -44.36 96.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.356 0.598 . . . . 25.0 110.6 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.81 24.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.997 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' B' ' 48' ' ' GLN . 27.9 m -67.98 -24.79 30.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -173.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.44 -45.17 63.33 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.72 -30.44 69.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.317 -1.31 . . . . 25.0 112.126 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -81.8 -42.15 19.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.917 -0.583 . . . . 25.0 110.702 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.34 -36.03 80.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 120.889 -1.132 . . . . 25.0 110.672 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -76.47 -19.91 57.54 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.565 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.45 -48.77 30.96 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -32.87 73.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.501 -1.227 . . . . 25.0 111.155 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -39.13 90.26 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.506 -0.746 . . . . 25.0 112.756 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -84.86 -29.38 25.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.693 0.759 . . . . 25.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -99.92 6.06 45.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.264 -0.88 . . . . 25.0 111.687 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.24 63.97 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.324 -0.398 . . . . 25.0 113.901 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.13 0.29 32.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.87 -167.69 34.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.596 -1.802 . . . . 25.0 108.596 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.14 153.69 49.12 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -170.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -146.7 179.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.641 -1.163 . . . . 25.0 107.991 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.7 -174.9 3.25 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.29 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -63.76 -40.74 97.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.47 -30.43 70.14 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.26 -0.275 . . . . 25.0 110.601 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -67.93 -41.33 82.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 75' ' ' VAL . 53.0 t -60.91 -37.32 76.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.542 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 76' ' ' VAL . 86.7 t -68.37 -39.63 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.72 -36.53 84.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.99 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.83 -30.12 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.649 -0.82 . . . . 25.0 109.49 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.89 -20.67 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.952 -0.467 . . . . 25.0 111.948 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.2 71.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 173.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.38 -35.54 61.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.8 m -66.8 -44.0 82.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.0 m -68.2 -33.15 59.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.077 -1.049 . . . . 25.0 110.227 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.82 63.84 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 122.053 -0.404 . . . . 25.0 110.285 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.1 t -86.32 -43.18 13.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -115.81 -34.6 4.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -73.21 -16.04 61.43 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.213 -0.305 . . . . 25.0 111.307 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -50.34 -15.71 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.375 1.991 . . . . 25.0 116.375 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 122.996 0.518 . . . . 25.0 111.757 174.364 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.276 0.56 . . . . 25.0 109.559 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -40.17 74.95 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.159 0.504 . . . . 25.0 109.806 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -34.48 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.21 -27.76 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.548 -0.72 . . . . 25.0 110.395 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -77.12 -22.18 53.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.88 -52.04 61.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 ptp -61.06 -26.39 67.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.75 -33.48 76.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.319 0.58 . . . . 25.0 110.586 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.5 p -73.99 -37.94 64.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.306 0.574 . . . . 25.0 111.353 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.15 -37.52 87.65 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.24 -39.19 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -47.21 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.968 0.168 . . . . 25.0 111.264 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.4 -30.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -67.04 -59.57 3.36 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.211 1.005 . . . . 25.0 109.9 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.47 -17.56 64.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.273 -1.33 . . . . 25.0 110.658 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.64 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.237 -0.585 . . . . 25.0 109.53 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.57 -15.3 22.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' HD13 ' A' ' 28' ' ' LEU . 72.2 m -61.8 159.21 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -176.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.53 -7.71 56.17 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.077 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -63.82 -36.04 82.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.399 0.619 . . . . 25.0 109.952 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.43 -28.18 61.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 25.0 111.999 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.54 -30.83 4.14 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.0 149.0 32.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 171.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -93.24 -8.13 43.15 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -93.34 -1.08 56.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.623 1.201 . . . . 25.0 107.763 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -126.92 156.8 40.91 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 113.357 -1.747 . . . . 25.0 108.719 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' ' 19' ' ' SER . 9.2 tp -153.51 148.28 26.41 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -73.49 151.91 40.88 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.689 -0.404 . . . . 25.0 110.547 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -58.69 -43.44 90.01 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 122.386 -0.196 . . . . 25.0 110.949 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -56.41 -39.52 73.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.44 -39.92 85.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.309 0.576 . . . . 25.0 110.047 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.61 -39.05 92.53 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.278 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -63.62 -33.17 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.167 -0.213 . . . . 25.0 110.729 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -79.15 -46.84 17.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.48 0.178 . . . . 25.0 111.48 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.56 -30.04 68.73 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 121.816 -0.553 . . . . 25.0 110.606 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -45.62 89.27 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 121.774 -0.579 . . . . 25.0 110.159 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -78.12 -22.42 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.758 -0.588 . . . . 25.0 110.804 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -29.91 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.716 -0.22 . . . . 25.0 111.096 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -104.24 -45.24 4.75 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.389 1.626 . . . . 25.0 115.389 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -69.02 -57.66 5.14 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.796 -0.184 . . . . 25.0 111.058 -172.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m 42.29 26.3 0.06 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.78 -57.72 0.09 OUTLIER Glycine 0 C--N 1.334 0.461 0 CA-C-O 122.915 1.286 . . . . 25.0 112.597 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.6 m-85 -75.4 -12.12 60.19 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.591 1.33 . . . . 25.0 114.591 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.45 -24.9 67.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.196 175.03 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -91.84 -28.46 17.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 122.877 1.323 . . . . 25.0 108.235 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.84 -8.94 57.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.502 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.424 HE21 HD22 ' A' ' 81' ' ' LEU . 23.4 mt-30 -63.12 137.69 58.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -123.35 -27.08 4.16 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.12 -0.363 . . . . 25.0 110.908 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.69 92.82 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 25.0 110.131 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.66 -33.38 62.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.556 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.57 -38.34 80.65 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.66 -0.816 . . . . 25.0 110.679 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.15 40.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.471 0.653 . . . . 25.0 109.453 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.77 -32.27 57.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.843 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.79 -45.85 80.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.037 0.446 . . . . 25.0 110.229 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -70.92 -29.72 65.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.481 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.86 -43.27 24.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.32 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.5 mmt -65.98 -41.33 91.29 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.396 -0.815 . . . . 25.0 110.43 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -70.31 -20.96 62.98 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.081 -0.648 . . . . 25.0 111.538 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -46.49 38.95 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.029 -2.211 . . . . 25.0 105.029 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -26.73 68.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.546 -1.206 . . . . 25.0 111.261 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.3 -38.38 81.58 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.127 -0.358 . . . . 25.0 111.35 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -86.78 -29.37 22.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.838 0.828 . . . . 25.0 111.998 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -107.93 7.63 28.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.839 -1.073 . . . . 25.0 113.278 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.3 65.23 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.508 -0.315 . . . . 25.0 113.875 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.1 4.96 27.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.936 0.347 . . . . 25.0 111.936 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.74 -172.38 34.64 Favored Glycine 0 N--CA 1.434 -1.434 0 N-CA-C 107.445 -2.262 . . . . 25.0 107.445 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.5 150.5 50.14 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.921 -1.14 . . . . 25.0 113.691 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -145.54 178.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.699 -1.137 . . . . 25.0 109.586 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.75 -174.14 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.449 0.299 . . . . 25.0 110.305 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.49 -38.78 75.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -68.22 -39.18 82.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.106 0.479 . . . . 25.0 109.774 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -31.87 71.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 25.0 110.287 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -69.12 -46.21 68.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.112 -0.993 . . . . 25.0 110.77 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -61.78 -32.11 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 122.057 -0.402 . . . . 25.0 111.793 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.09 -27.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.461 -0.774 . . . . 25.0 110.38 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.58 -30.23 70.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.64 -34.76 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 109.525 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.71 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 110.123 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD22 HE21 ' A' ' 48' ' ' GLN . 36.5 mt -72.82 -36.36 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -47.74 73.07 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.868 -0.605 . . . . 25.0 111.321 -177.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.77 -30.77 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.937 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.09 68.21 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -89.69 -53.73 4.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.401 1.096 . . . . 25.0 112.218 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.62 -50.18 9.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.006 -1.452 . . . . 25.0 114.585 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -17.55 61.43 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 122.522 0.329 . . . . 25.0 111.872 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -40.84 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.369 2.729 . . . . 25.0 118.369 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--N 1.319 -0.755 0 O-C-N 121.377 -0.827 . . . . 25.0 112.323 177.625 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 120.956 0.408 . . . . 25.0 109.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.71 -40.1 95.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.83 71.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 25.0 112.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.29 -32.8 29.37 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.547 -0.72 . . . . 25.0 111.024 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -69.23 -21.89 63.9 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.35 -52.18 62.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.177 -0.919 . . . . 25.0 112.616 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.2 ptp -62.85 -24.57 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.87 -32.35 73.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.242 0.544 . . . . 25.0 110.297 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 43.4 p -72.96 -37.25 67.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.851 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.25 -36.25 82.54 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.61 -39.68 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.01 72.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.012 0.195 . . . . 25.0 111.423 -177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.58 -29.58 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -58.15 4.89 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.816 0.817 . . . . 25.0 110.737 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -18.52 65.4 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.753 -1.112 . . . . 25.0 110.17 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.95 89.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.396 -0.522 . . . . 25.0 110.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.11 -12.29 18.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' B' ' 28' ' ' LEU . 74.6 m -65.21 156.47 31.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.576 0.703 . . . . 25.0 111.954 -177.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.01 -21.5 39.9 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -60.5 -30.0 69.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -109.67 41.71 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 124.885 2.279 . . . . 25.0 114.901 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.51 -31.04 7.1 Favored Glycine 0 C--N 1.289 -2.065 0 CA-C-N 112.534 -2.121 . . . . 25.0 115.656 167.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -136.44 155.0 50.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 173.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -85.28 -8.71 58.38 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -173.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.68 2.45 49.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.185 0.993 . . . . 25.0 108.774 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -127.1 155.93 42.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.193 -1.367 . . . . 25.0 109.849 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 19' ' ' SER . 12.1 tp -157.24 152.97 26.79 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.494 -0.482 . . . . 25.0 111.449 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.3 -40.52 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.495 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -54.87 -41.5 70.9 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.9 -37.86 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.421 0.629 . . . . 25.0 110.311 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.17 -37.71 88.29 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.953 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -64.31 -32.17 73.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.271 -0.268 . . . . 25.0 110.619 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.65 -46.47 19.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.77 -28.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.589 -0.694 . . . . 25.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.03 -44.53 92.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.782 -0.574 . . . . 25.0 109.587 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.66 -22.45 46.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.874 -0.73 . . . . 25.0 111.141 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -25.03 58.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.741 -0.384 . . . . 25.0 111.419 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.92 -45.02 3.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 44' ' ' PHE . 1.2 tt -73.61 -64.94 0.89 Allowed 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.437 -0.505 . . . . 25.0 112.301 -172.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.9 m 34.91 35.85 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.73 -58.04 0.09 OUTLIER Glycine 0 C--N 1.335 0.479 0 CA-C-O 122.407 1.004 . . . . 25.0 113.018 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.414 ' HB2' HD21 ' B' ' 41' ' ' LEU . 37.5 m-85 -70.77 -23.73 62.46 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -58.07 -27.46 63.66 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.878 -1.056 . . . . 25.0 111.351 176.689 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.29 -20.2 23.2 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 123.327 1.537 . . . . 25.0 108.737 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.34 -1.85 58.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.693 -1.594 . . . . 25.0 111.509 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.57 142.44 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -120.73 -29.74 4.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -77.33 92.78 3.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 25.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -34.49 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.354 . . . . 25.0 111.931 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.71 -38.52 76.97 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.263 -0.975 . . . . 25.0 110.08 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.24 -51.83 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.56 -34.81 72.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.045 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.02 -46.87 76.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.11 0.481 . . . . 25.0 110.419 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -73.45 -28.15 61.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.394 . . . . 25.0 111.949 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.71 -41.22 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.304 -0.258 . . . . 25.0 110.304 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.3 mmt -63.93 -42.35 97.39 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.304 -0.872 . . . . 25.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -73.05 -20.92 60.88 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 120.345 -0.542 . . . . 25.0 112.038 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.26 -47.93 46.43 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.308 -2.108 . . . . 25.0 105.308 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.53 -1.213 . . . . 25.0 111.067 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.02 -31.89 73.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.08 -30.4 19.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.755 0.788 . . . . 25.0 112.057 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -104.33 7.48 35.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.118 -0.946 . . . . 25.0 113.405 -171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.26 -32.53 72.25 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.29 3.77 34.02 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.09 -174.77 43.84 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 106.983 -2.447 . . . . 25.0 106.983 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -124.79 144.93 50.0 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 113.33 -1.435 . . . . 25.0 112.35 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.33 -179.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.911 . . . . 25.0 108.686 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -131.41 -174.17 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -56.93 -41.13 77.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.77 -41.77 97.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.73 -32.12 72.52 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.399 -0.521 . . . . 25.0 110.65 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.15 -42.14 84.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.629 0.728 . . . . 25.0 109.327 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 75' ' ' VAL . 22.6 t -58.44 -39.67 75.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.097 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.31 -35.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -37.63 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.897 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.85 -30.51 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 119.55 -0.86 . . . . 25.0 109.122 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.44 -20.76 61.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.66 72.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.46 -35.91 68.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -67.65 -44.42 77.93 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.952 -0.567 . . . . 25.0 112.03 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.78 -33.74 63.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.677 -0.809 . . . . 25.0 109.633 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.79 66.05 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 122.067 -0.396 . . . . 25.0 110.329 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.85 -40.17 15.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -109.38 -46.34 3.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -19.68 65.84 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 122.925 0.49 . . . . 25.0 112.311 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -47.23 -15.93 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 117.43 2.382 . . . . 25.0 117.43 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 . . . . . 0 C--N 1.321 -0.657 0 O-C-N 122.015 -0.428 . . . . 25.0 111.898 174.482 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.3 t . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 110.547 -0.168 . . . . 25.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -28.0 69.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 170.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -29.46 69.64 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.151 0.796 . . . . 25.0 113.151 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -81.63 -22.45 37.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.563 0.697 . . . . 25.0 112.342 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -21.91 58.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.852 0.835 . . . . 25.0 109.229 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.03 -57.63 8.14 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.2 63.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.2 -33.58 72.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.966 0.507 . . . . 25.0 111.933 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 50.8 p -74.67 -38.13 62.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 25.0 111.081 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -37.15 85.56 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -61.38 -40.99 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.44 -46.71 73.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 -177.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -84.98 -29.64 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.4 -56.21 9.27 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.536 1.16 . . . . 25.0 111.298 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -70.83 -17.14 62.76 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.034 -1.439 . . . . 25.0 111.02 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.87 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 176.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -107.44 -5.09 17.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 158.99 12.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.898 0.772 . . . . 25.0 112.581 -176.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.34 45.81 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.774 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -74.27 -29.34 61.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.329 -0.513 . . . . 25.0 111.953 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.92 35.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 176.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.7 -30.98 4.07 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-O 118.956 -0.913 . . . . 25.0 114.782 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -97.29 157.6 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.942 1.371 . . . . 25.0 112.134 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE2' ' CE2' ' A' ' 26' ' ' TYR . 29.3 mtmm -68.42 -26.18 65.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 126.267 1.827 . . . . 25.0 113.572 -173.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 30.2 m-85 -109.5 9.62 25.33 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 122.194 0.997 . . . . 25.0 110.582 -174.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -124.42 152.5 43.17 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.929 -1.487 . . . . 25.0 111.177 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 29' ' ' SER . 2.0 tp -146.46 169.49 18.8 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 62.0 p -97.99 157.03 16.35 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -58.24 -49.07 78.4 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.141 -0.223 . . . . 25.0 111.385 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -54.47 -36.72 64.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.544 1.312 . . . . 25.0 114.544 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.26 -39.03 89.18 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.642 -0.423 . . . . 25.0 111.016 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 HG21 ' A' ' 69' ' ' VAL . 73.3 mt -64.01 -39.84 95.01 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 111.496 -176.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -59.49 -38.06 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.78 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -46.5 13.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -175.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.06 -36.36 83.74 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.958 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 7.0 tt -65.01 -46.15 82.59 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.792 -0.567 . . . . 25.0 110.601 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -73.85 -24.55 59.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.455 -0.898 . . . . 25.0 109.854 -171.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -28.57 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.049 0.218 . . . . 25.0 110.844 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.79 -37.07 12.53 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.42 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.777 -172.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.6 m 44.99 29.52 0.48 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.319 1.6 . . . . 25.0 115.319 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.37 -56.05 0.08 OUTLIER Glycine 0 C--O 1.226 -0.361 0 CA-C-O 122.076 0.82 . . . . 25.0 113.44 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -21.32 64.69 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.36 -26.58 66.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.638 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.43 -27.52 18.25 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.814 1.292 . . . . 25.0 108.905 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.18 62.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.286 -1.324 . . . . 25.0 112.449 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -63.56 141.37 58.79 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 122.607 0.363 . . . . 25.0 111.508 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -126.87 -25.92 3.26 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -74.61 93.47 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 25.0 110.316 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.3 -34.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.626 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.68 -38.03 83.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.156 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.8 -52.35 21.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.776 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.73 -34.44 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.772 0.32 . . . . 25.0 110.911 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.78 -46.52 84.87 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -36.42 64.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -174.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.62 -42.16 62.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.83 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -66.72 -42.73 85.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.004 -1.079 . . . . 25.0 110.723 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -70.61 -26.4 63.48 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.906 -0.718 . . . . 25.0 111.819 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.65 -49.01 62.47 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -34.65 78.86 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.088 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.71 -37.77 85.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -81.41 -32.42 32.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.692 0.758 . . . . 25.0 110.094 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -104.43 10.18 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -171.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.45 -32.49 57.91 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 115.825 1.09 . . . . 25.0 115.825 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -81.08 3.57 22.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.25 0.525 . . . . 25.0 111.442 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.23 -163.54 36.07 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 108.375 -1.89 . . . . 25.0 108.375 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.4 pt-20 -133.95 160.7 36.89 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.914 -0.643 . . . . 25.0 112.623 -171.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG21 HD11 ' A' ' 33' ' ' LEU . 17.7 m -147.96 166.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.719 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.69 -174.13 2.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.78 -38.94 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 75' ' ' VAL . 19.0 tt0 -66.91 -38.29 85.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -37.04 86.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.257 0.551 . . . . 25.0 110.362 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -67.04 -43.07 83.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.099 -0.376 . . . . 25.0 110.586 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -62.51 -29.95 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.495 -179.129 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.61 -40.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.34 -35.16 79.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.041 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -75.46 -34.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.34 -0.944 . . . . 25.0 108.688 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.18 -20.8 63.1 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.911 -0.493 . . . . 25.0 111.624 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.93 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.2 -38.33 69.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -66.41 -47.11 74.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.726 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -67.53 -34.07 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.711 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.01 65.49 Favored 'General case' 0 C--O 1.204 -1.305 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.36 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.9 -54.44 5.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.3 -51.34 4.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.92 -168.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -71.66 -16.21 62.25 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.892 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -40.66 -23.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 118.314 2.709 . . . . 25.0 118.314 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.314 -0.965 0 C-N-CA 123.36 0.664 . . . . 25.0 112.383 177.516 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.231 0.089 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.31 -43.54 92.63 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.788 -0.57 . . . . 25.0 110.649 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.63 -26.98 67.34 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -28.92 31.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.894 -0.504 . . . . 25.0 111.899 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -72.32 -20.74 61.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.26 -54.62 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.39 69.3 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.91 70.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.042 0.448 . . . . 25.0 111.108 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.58 -39.68 62.1 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.896 -0.503 . . . . 25.0 110.765 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -36.87 84.26 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.45 -41.29 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.85 77.15 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.391 0.432 . . . . 25.0 111.305 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.26 -29.84 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.15 -58.7 4.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.402 1.096 . . . . 25.0 110.568 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.83 -15.7 62.14 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.992 -1.458 . . . . 25.0 111.841 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.4 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.384 -0.526 . . . . 25.0 109.851 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -121.1 9.06 10.44 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.49 1.293 . . . . 25.0 114.49 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.599 ' HA ' HD13 ' B' ' 28' ' ' LEU . 95.6 p -74.52 171.63 13.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.288 0.566 . . . . 25.0 111.596 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.38 67.93 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.719 -0.753 . . . . 25.0 112.593 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.43 -35.33 80.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.835 0.826 . . . . 25.0 110.637 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.37 -24.34 57.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.064 -1.426 . . . . 25.0 111.337 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.78 -28.26 4.71 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.097 -0.801 . . . . 25.0 111.097 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -119.82 154.15 34.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.603 0.716 . . . . 25.0 112.3 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.63 42.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -100.23 5.37 44.67 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 122.03 0.919 . . . . 25.0 109.299 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -126.83 155.63 42.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.854 -1.521 . . . . 25.0 108.15 -175.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -159.16 143.65 15.48 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.4 p -72.77 149.89 43.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -55.74 -41.8 74.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.614 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -59.42 -39.09 82.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HG2' HD11 ' B' ' 28' ' ' LEU . 18.9 tp10 -67.1 -38.01 84.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.323 0.582 . . . . 25.0 109.485 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.97 -39.88 95.13 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.663 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.23 -39.65 87.43 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.224 0.535 . . . . 25.0 110.255 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -45.82 36.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.736 -0.666 . . . . 25.0 112.752 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.93 -32.71 73.35 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.197 -0.601 . . . . 25.0 110.522 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.32 -43.28 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.894 -0.503 . . . . 25.0 110.344 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.58 -22.57 43.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.853 -0.739 . . . . 25.0 111.004 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -30.92 58.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.807 0.337 . . . . 25.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 5.9 mm-40 -98.98 -45.22 6.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -66.98 0.79 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.751 -0.658 . . . . 25.0 111.13 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.8 p 38.52 41.05 0.43 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.03 -48.85 0.05 OUTLIER Glycine 0 C--O 1.223 -0.566 0 CA-C-O 122.137 0.854 . . . . 25.0 112.6 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -17.95 63.36 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -176.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.94 -24.55 67.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.932 177.421 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -91.65 -18.85 23.37 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 123.14 1.448 . . . . 25.0 109.206 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.57 -9.6 57.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.041 -1.436 . . . . 25.0 112.431 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -71.81 128.3 35.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -115.89 -25.33 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.995 0.368 . . . . 25.0 111.995 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -79.07 93.23 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 25.0 110.044 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.24 -34.72 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.306 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.25 -37.48 85.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.229 0.538 . . . . 25.0 110.34 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.67 13.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.593 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.62 -32.55 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.813 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.91 -48.95 79.46 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -35.74 72.44 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.66 -174.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.58 -43.45 62.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.62 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.74 -40.88 92.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.284 -0.885 . . . . 25.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.04 -27.46 62.72 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.085 -0.646 . . . . 25.0 111.266 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -47.92 71.11 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 177.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -31.79 73.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.575 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.7 73.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.831 -0.543 . . . . 25.0 111.389 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.8 -32.28 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.537 0.684 . . . . 25.0 110.597 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.17 6.45 33.06 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.1 -32.57 67.33 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 114.32 0.488 . . . . 25.0 114.32 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.51 -0.87 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.93 -162.29 37.87 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 109.712 -1.355 . . . . 25.0 109.712 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.36 146.29 52.21 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -172.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.54 179.07 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.507 -0.769 . . . . 25.0 109.184 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -128.47 -174.08 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.162 -0.336 . . . . 25.0 110.232 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.52 -40.49 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -64.88 -39.09 93.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.26 -0.274 . . . . 25.0 110.26 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -31.08 67.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.297 -0.561 . . . . 25.0 110.733 176.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -66.84 -40.11 87.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -57.42 -37.42 57.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.038 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -71.14 -39.73 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -65.07 -35.66 81.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.908 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.35 -31.61 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.338 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.66 61.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.13 -0.356 . . . . 25.0 111.682 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -73.37 -36.69 66.13 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.078 -0.712 . . . . 25.0 109.078 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.2 m -67.11 -45.86 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.788 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.48 -32.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.162 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.46 -24.95 61.27 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 122.069 -0.395 . . . . 25.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.7 t -85.82 -51.52 6.35 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -106.05 -37.72 6.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -19.46 62.45 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.782 -0.574 . . . . 25.0 109.733 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.85 -23.65 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 117.167 2.284 . . . . 25.0 117.167 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 C--N 1.315 -0.903 0 C-N-CA 123.37 0.668 . . . . 25.0 112.651 177.068 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.0 -24.24 67.64 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.779 -0.576 . . . . 25.0 110.081 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -29.97 70.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.44 -26.84 34.99 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 118.217 0.462 . . . . 25.0 111.565 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.83 -21.25 60.98 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 123.395 1.569 . . . . 25.0 109.007 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.39 -56.9 14.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.225 -0.922 . . . . 25.0 112.375 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG2' ' H ' ' A' ' 8' ' ' MET . 12.0 ptp -58.44 -27.68 64.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.631 0.975 . . . . 25.0 113.631 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -32.69 74.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.015 0.436 . . . . 25.0 110.595 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 40.8 p -74.06 -38.25 64.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.186 0.517 . . . . 25.0 111.084 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.89 -38.1 89.83 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.28 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.18 75.09 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 111.414 0.153 . . . . 25.0 111.414 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -84.16 -31.98 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.099 0.476 . . . . 25.0 112.278 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -67.58 -57.44 6.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.961 1.362 . . . . 25.0 110.922 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.71 -14.16 61.5 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.85 -1.977 . . . . 25.0 110.945 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.63 -38.19 73.86 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.23 -5.71 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.299 0.852 . . . . 25.0 113.299 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -64.52 160.77 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -171.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.94 55.16 Favored Glycine 0 C--O 1.219 -0.797 0 CA-C-N 115.307 -0.861 . . . . 25.0 113.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -70.33 -30.42 67.38 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.498 -0.413 . . . . 25.0 111.858 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -21.64 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.98 4.08 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-O 118.974 -0.903 . . . . 25.0 114.694 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.35 155.71 18.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.757 1.279 . . . . 25.0 110.907 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -13.11 47.94 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' HD22 ' B' ' 87' ' ' ASN . 26.6 m-85 -105.48 9.52 33.52 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.221 1.01 . . . . 25.0 108.824 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -133.49 169.7 16.59 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 113.529 -1.669 . . . . 25.0 107.298 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mt -157.25 169.48 24.65 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 52.0 p -88.85 157.35 18.48 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' HD11 ' A' ' 61' ' ' LEU . 34.0 mttm -57.52 -49.61 75.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.832 0.348 . . . . 25.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -54.74 -35.57 63.88 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 115.034 1.494 . . . . 25.0 115.034 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.62 -38.18 90.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.052 0.453 . . . . 25.0 111.039 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.77 -38.74 92.24 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.833 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -63.34 -35.45 80.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.141 -0.223 . . . . 25.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -81.15 -41.37 22.53 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.432 -0.507 . . . . 25.0 111.808 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.64 -31.2 68.05 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.582 -0.699 . . . . 25.0 110.367 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -43.8 97.39 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.718 -0.614 . . . . 25.0 110.139 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -78.73 -22.43 46.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.357 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -28.25 29.5 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -99.08 -44.15 6.4 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.1 tt -81.0 -60.29 2.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.342 -174.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m 46.3 28.79 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.59 -55.12 0.07 OUTLIER Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.948 0.749 . . . . 25.0 113.687 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -71.24 -14.21 62.16 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 -175.584 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.64 -24.39 67.03 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.277 176.212 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.21 -23.32 18.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.981 1.372 . . . . 25.0 109.014 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 5.49 13.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.122 -1.399 . . . . 25.0 112.977 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.47 HE21 HD22 ' A' ' 81' ' ' LEU . 35.1 mt-30 -79.72 119.24 22.37 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.935 -0.478 . . . . 25.0 110.388 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -102.46 -24.28 13.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.029 -0.419 . . . . 25.0 111.138 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -84.54 83.29 8.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.05 -35.07 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.149 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.16 -31.92 73.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.257 0.551 . . . . 25.0 111.097 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -59.48 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.402 0.62 . . . . 25.0 109.982 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -64.29 -32.0 55.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.95 -46.55 87.21 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -24.41 63.54 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.476 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.29 -43.46 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.305 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.86 -38.03 87.72 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.975 -0.69 . . . . 25.0 109.447 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -25.86 62.11 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.405 -0.518 . . . . 25.0 111.635 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.55 -47.15 50.53 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -63.08 -33.72 76.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.118 -0.947 . . . . 25.0 110.204 -178.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.86 -37.78 82.28 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -89.15 -14.16 36.77 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.062 -0.399 . . . . 25.0 111.623 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -114.59 10.24 16.74 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.326 0.584 . . . . 25.0 112.081 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.07 -29.73 56.26 Favored Glycine 0 C--N 1.318 -0.432 0 N-CA-C 115.981 1.152 . . . . 25.0 115.981 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.94 4.12 20.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.432 0.616 . . . . 25.0 111.338 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -159.47 27.38 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 108.934 -1.666 . . . . 25.0 108.934 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.8 pt-20 -136.77 156.7 48.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.021 0.439 . . . . 25.0 112.159 -172.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.58 173.45 9.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 114.413 -1.267 . . . . 25.0 110.959 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -176.75 4.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 173.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.35 -41.67 85.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.82 -38.23 88.35 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.222 -0.924 . . . . 25.0 110.474 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -67.05 -42.2 85.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.683 0.754 . . . . 25.0 109.297 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.719 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -55.85 -37.98 49.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.581 -0.736 . . . . 25.0 112.349 176.472 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.67 -35.65 80.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.07 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.56 -35.25 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.207 -0.997 . . . . 25.0 108.564 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.19 -20.71 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.841 -0.537 . . . . 25.0 111.823 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.31 73.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.398 0.618 . . . . 25.0 109.417 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.47 HD22 HE21 ' A' ' 48' ' ' GLN . 36.1 mt -72.54 -35.97 68.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -42.15 76.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -68.97 -34.65 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 119.471 -0.892 . . . . 25.0 109.938 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.21 -28.99 66.86 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.5 t -82.73 -47.54 11.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.31 -41.1 4.73 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -168.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -19.49 63.6 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 123.174 0.59 . . . . 25.0 111.488 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -41.18 -21.26 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 118.07 2.618 . . . . 25.0 118.07 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--N 1.317 -0.839 0 O-C-N 121.741 -0.599 . . . . 25.0 112.49 176.182 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.268 0.556 . . . . 25.0 111.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.01 -39.71 94.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -28.14 67.87 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 25.0 112.08 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -82.17 -31.13 30.6 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.14 -0.35 . . . . 25.0 111.224 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -68.84 -22.1 64.24 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.96 -56.55 16.82 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.13 -24.92 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.45 -33.78 76.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 25.0 109.866 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 69.5 p -73.22 -39.64 65.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.991 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -37.87 89.02 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.07 -40.14 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -46.31 76.66 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.97 0.169 . . . . 25.0 111.229 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.78 -30.09 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.34 -57.83 6.63 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.606 1.193 . . . . 25.0 110.111 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -69.42 -20.28 63.79 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.461 -1.7 . . . . 25.0 110.995 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.45 91.15 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.996 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -101.78 -0.44 34.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.416 0.524 . . . . 25.0 112.416 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -73.26 159.84 32.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.659 1.355 . . . . 25.0 114.659 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -4.95 56.2 Favored Glycine 0 C--O 1.221 -0.707 0 CA-C-N 115.141 -0.936 . . . . 25.0 112.71 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -66.62 -24.13 66.27 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.59 -0.359 . . . . 25.0 110.276 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.02 -26.17 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.72 -0.673 . . . . 25.0 111.032 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.49 -30.78 4.16 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.577 -0.609 . . . . 25.0 111.577 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.99 153.09 32.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 173.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -93.07 -9.59 39.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -94.17 2.93 55.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.56 1.172 . . . . 25.0 109.297 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.81 158.39 42.61 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 113.207 -1.815 . . . . 25.0 108.367 -171.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -158.53 150.14 21.1 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 172.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.05 148.68 47.3 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -52.35 -43.29 64.56 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -56.77 -39.16 73.54 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -65.79 -38.08 88.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 25.0 110.198 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.55 -36.82 83.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.894 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -66.48 -33.23 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.254 -0.279 . . . . 25.0 110.681 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.97 -42.8 31.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.63 -30.79 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.804 -0.758 . . . . 25.0 109.594 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -43.88 95.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.727 -0.608 . . . . 25.0 110.232 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.7 -22.41 46.7 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.452 -0.78 . . . . 25.0 110.943 -175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -30.21 40.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 121.054 -0.258 . . . . 25.0 111.109 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.52 -45.1 6.22 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -65.86 0.96 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.286 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.36 35.4 2.74 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.617 1.34 . . . . 25.0 114.617 -176.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.44 -30.77 0.12 Allowed Glycine 0 C--O 1.217 -0.942 0 N-CA-C 115.856 1.102 . . . . 25.0 115.856 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -96.05 -23.74 16.66 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 121.589 -0.948 . . . . 25.0 112.102 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.445 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.72 -24.21 66.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.492 -176.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.69 -16.91 13.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.526 0.679 . . . . 25.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.98 6.68 12.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.523 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.11 126.85 30.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -100.28 -28.52 12.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.306 0.242 . . . . 25.0 111.153 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -72.66 96.86 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.359 0.599 . . . . 25.0 110.688 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.23 -33.54 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.926 . . . . 25.0 111.859 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.62 -40.76 76.4 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.473 -0.767 . . . . 25.0 109.812 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.0 70.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.578 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.01 -35.95 76.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.38 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.31 -34.22 70.4 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 119.606 -0.838 . . . . 25.0 112.901 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -83.59 -39.29 20.51 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.428 -0.17 . . . . 25.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.28 -36.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -174.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.15 -37.11 80.68 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 117.437 -1.705 . . . . 25.0 108.531 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -73.06 -25.77 61.03 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.965 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.5 -48.92 65.67 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -34.47 77.89 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.181 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -68.15 -35.47 78.13 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.871 -0.518 . . . . 25.0 112.34 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.18 -31.68 24.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.442 0.639 . . . . 25.0 110.248 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -104.03 9.59 36.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.942 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.36 -30.42 64.65 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-N 116.182 -0.463 . . . . 25.0 113.19 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.37 -0.11 35.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.9 -158.92 33.8 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 109.867 -1.293 . . . . 25.0 109.867 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.36 147.77 52.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.86 174.42 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.27 -174.1 2.97 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.995 -0.441 . . . . 25.0 110.379 -175.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -57.93 -42.11 84.18 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.93 -41.42 97.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.43 -27.73 65.52 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.981 -0.288 . . . . 25.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.61 -41.19 84.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 HG13 ' A' ' 75' ' ' VAL . 78.3 t -63.03 -34.91 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.911 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.82 -40.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.36 -36.44 82.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.231 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.19 -32.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.349 -0.94 . . . . 25.0 108.744 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.54 -20.68 60.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.47 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.75 -36.42 67.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -65.98 -47.85 73.2 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 111.929 0.344 . . . . 25.0 111.929 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.91 -34.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.19 -0.604 . . . . 25.0 109.628 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -30.26 61.01 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.749 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -84.48 -42.77 15.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.46 -52.42 2.77 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.406 HD22 ' HB3' ' A' ' 26' ' ' TYR . 35.7 m120 -67.82 -16.18 63.98 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 113.296 0.851 . . . . 25.0 113.296 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -46.69 -15.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 117.155 2.28 . . . . 25.0 117.155 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 123.658 0.783 . . . . 25.0 111.076 174.04 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.209 -1.032 0 N-CA-C 110.817 -0.068 . . . . 25.0 110.817 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.92 -25.6 68.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.162 0.506 . . . . 25.0 110.412 172.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.05 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 25.0 111.792 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.93 -31.13 31.48 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.623 -0.673 . . . . 25.0 111.625 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -22.29 65.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.517 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.37 -54.44 40.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.323 -0.853 . . . . 25.0 113.091 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ptp -60.78 -27.32 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -33.01 74.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.762 0.791 . . . . 25.0 110.733 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.3 p -73.69 -38.43 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.49 . . . . 25.0 111.189 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.03 -36.62 83.74 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.65 -38.45 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.68 74.84 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 111.584 0.216 . . . . 25.0 111.584 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.35 -31.6 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -66.65 -55.33 15.73 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.496 1.141 . . . . 25.0 110.821 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -73.38 -14.46 61.28 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.608 -1.633 . . . . 25.0 110.835 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.31 -39.25 78.38 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -94.64 -10.26 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -62.1 149.5 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -170.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.22 -3.57 51.28 Favored Glycine 0 C--O 1.222 -0.647 0 CA-C-N 114.89 -1.05 . . . . 25.0 113.166 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.48 -25.06 65.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.8 -28.15 28.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.08 174.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.78 4.39 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.642 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.0 154.17 22.04 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.927 0.864 . . . . 25.0 112.339 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.31 -23.02 61.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -173.735 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -114.49 15.88 17.77 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.997 0.427 . . . . 25.0 111.496 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -132.35 150.73 52.1 Favored 'General case' 0 CA--C 1.488 -1.433 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -173.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.8 mt -154.45 148.17 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 p -70.66 150.19 46.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -52.89 -42.42 65.3 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.19 -39.44 75.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -63.61 -38.79 92.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.406 0.622 . . . . 25.0 110.489 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -37.84 84.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.506 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.74 -32.36 73.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.65 -47.38 26.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.424 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.49 -30.72 67.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.714 -0.616 . . . . 25.0 111.383 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.53 -42.03 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.775 -0.578 . . . . 25.0 110.394 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -80.32 -22.58 41.37 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.735 -0.603 . . . . 25.0 110.078 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -33.39 49.74 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.297 0.373 . . . . 25.0 111.924 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -95.19 -45.12 7.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -60.16 2.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.687 -172.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.54 25.06 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.649 1.722 . . . . 25.0 115.649 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.2 -55.81 0.1 Allowed Glycine 0 C--O 1.228 -0.246 0 CA-C-O 121.688 0.604 . . . . 25.0 112.889 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -20.09 63.13 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -174.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 -26.05 67.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.001 -1.0 . . . . 25.0 109.808 176.072 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.53 -21.41 15.93 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.591 1.186 . . . . 25.0 109.251 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.46 -12.11 61.36 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.625 -1.17 . . . . 25.0 111.53 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.96 140.25 58.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.686 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -123.97 -23.24 4.66 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -73.32 95.06 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 25.0 110.467 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.28 -34.56 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.913 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.3 -40.95 81.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.838 -1.145 . . . . 25.0 109.942 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.65 65.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.271 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.48 -33.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.18 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.96 -38.68 66.66 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.362 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -38.21 64.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.72 -39.9 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.101 -0.5 . . . . 25.0 111.681 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.7 mmt -65.89 -40.21 91.35 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.823 -1.151 . . . . 25.0 109.201 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -70.82 -22.23 62.36 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.581 -0.447 . . . . 25.0 112.038 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -74.79 -49.5 20.6 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 105.949 -1.871 . . . . 25.0 105.949 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -34.74 77.08 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.055 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.74 -33.68 76.17 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.36 -31.71 21.36 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.924 0.868 . . . . 25.0 111.624 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -101.94 9.42 40.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.841 -1.072 . . . . 25.0 112.659 -171.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.2 -32.41 67.44 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -85.47 6.81 25.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.882 0.341 . . . . 25.0 111.879 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.29 -158.42 31.25 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.565 -1.814 . . . . 25.0 108.565 174.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.93 143.4 44.91 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.39 175.12 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.879 -0.601 . . . . 25.0 110.984 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.18 -174.1 3.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.228 -0.295 . . . . 25.0 110.498 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.31 -40.09 77.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.717 0.636 . . . . 25.0 112.717 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 30.2 tt0 -64.49 -40.7 96.17 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -33.36 72.99 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.449 175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.72 -43.88 87.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.441 -0.787 . . . . 25.0 110.536 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -63.77 -29.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 122.085 -0.385 . . . . 25.0 111.061 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.4 t -74.66 -36.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.23 -35.18 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.302 -0.249 . . . . 25.0 111.521 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.57 -33.85 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.359 -0.936 . . . . 25.0 108.879 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -20.8 62.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.076 -0.39 . . . . 25.0 111.49 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.45 74.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -38.21 69.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -43.45 80.33 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.285 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.538 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.5 m -71.93 -30.45 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.662 -1.215 . . . . 25.0 111.093 -176.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.06 60.78 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.75 -54.55 5.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -44.24 4.22 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -168.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -65.81 -20.96 66.44 Favored 'General case' 0 C--O 1.192 -1.958 0 CA-C-O 118.939 -0.553 . . . . 25.0 110.124 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -42.33 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.416 2.747 . . . . 25.0 118.416 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 75.0 m-85 . . . . . 0 CA--C 1.552 1.055 0 C-N-CA 124.146 0.978 . . . . 25.0 110.782 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--O 1.214 -0.801 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.3 -28.34 68.62 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.375 -0.828 . . . . 25.0 110.304 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -28.46 69.03 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.86 -29.01 32.69 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 119.722 -0.791 . . . . 25.0 112.103 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -22.13 66.89 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.24 -57.36 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.089 -0.959 . . . . 25.0 112.359 -175.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.84 -27.13 64.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.77 -32.6 73.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.459 0.647 . . . . 25.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -75.63 -38.92 58.56 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 122.066 -0.396 . . . . 25.0 110.947 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.21 -37.63 88.15 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.08 -40.0 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -43.4 76.14 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.221 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -86.46 -31.84 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.1 -57.53 8.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.301 1.048 . . . . 25.0 111.811 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -71.92 -16.02 62.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.135 -1.393 . . . . 25.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.45 69.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 25.0 110.314 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.49 5.35 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -65.15 155.83 33.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.892 0.853 . . . . 25.0 113.276 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.63 -4.15 59.56 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.461 -0.876 . . . . 25.0 113.764 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -64.37 -35.66 81.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.222 0.534 . . . . 25.0 110.049 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.83 -28.63 65.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.923 -1.035 . . . . 25.0 110.628 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -17.18 6.46 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.641 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -124.69 146.3 49.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.193 0.997 . . . . 25.0 111.967 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.533 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.09 -21.77 64.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 116.667 2.099 . . . . 25.0 116.667 -170.501 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 21.5 m-85 -114.38 21.45 14.61 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.646 0.736 . . . . 25.0 110.983 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -136.87 153.78 50.67 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 114.533 -1.212 . . . . 25.0 108.326 -172.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.6 mt -156.83 149.12 23.15 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 106.258 -1.756 . . . . 25.0 106.258 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 67.4 m -83.95 157.01 22.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.542 -0.911 . . . . 25.0 108.542 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -56.45 -39.98 74.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -56.2 -36.01 67.91 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.102 0.477 . . . . 25.0 111.938 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.35 -39.05 65.51 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 121.511 0.672 . . . . 25.0 110.621 -175.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -61.46 -37.58 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 25.0 110.751 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.72 -45.23 37.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.24 -28.47 66.37 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.4 96.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 25.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.65 -22.56 37.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.555 -0.716 . . . . 25.0 110.981 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -27.75 63.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.997 -0.371 . . . . 25.0 109.997 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -107.14 -44.81 4.28 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 116.775 2.139 . . . . 25.0 116.775 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.84 -63.38 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.065 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m 33.21 43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.272 1.582 . . . . 25.0 115.272 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.58 0.07 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.34 -0.457 . . . . 25.0 113.66 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -20.69 63.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.241 1.2 . . . . 25.0 114.241 -174.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.512 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.51 -23.73 67.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.412 176.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -98.86 -16.23 18.93 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.728 1.251 . . . . 25.0 109.053 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 2.6 28.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.36 -1.291 . . . . 25.0 110.926 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -79.88 121.94 26.04 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.158 0.504 . . . . 25.0 110.657 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -93.05 -30.06 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.243 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -74.51 97.23 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.377 0.608 . . . . 25.0 112.452 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.36 -34.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.194 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.04 -36.69 72.45 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.353 -0.939 . . . . 25.0 110.148 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.57 60.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.95 -35.65 75.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.481 -0.488 . . . . 25.0 110.986 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.25 -37.31 85.19 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 111.143 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -83.51 -33.18 25.58 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -81.43 -36.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 111.666 0.247 . . . . 25.0 111.666 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp -66.81 -38.23 86.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.789 -1.195 . . . . 25.0 109.542 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -73.51 -29.48 62.51 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.924 -0.71 . . . . 25.0 111.634 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.29 -48.87 71.63 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -30.85 71.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.939 0.399 . . . . 25.0 110.709 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.35 -34.42 74.57 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.582 -0.699 . . . . 25.0 112.29 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.1 -18.49 22.55 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.017 -0.427 . . . . 25.0 112.13 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -112.29 4.53 17.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.52 79.63 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 116.293 -0.412 . . . . 25.0 113.749 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.63 7.63 19.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.842 0.312 . . . . 25.0 111.842 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.53 -146.4 6.06 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 111.187 -0.765 . . . . 25.0 111.187 175.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.3 pt-20 -148.94 142.36 25.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -149.83 -178.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 122.6 0.36 . . . . 25.0 110.821 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -130.85 -174.21 3.3 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.783 -0.573 . . . . 25.0 111.86 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -56.62 -41.33 76.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.452 ' HB2' HG11 ' A' ' 83' ' ' VAL . 30.3 tt0 -64.28 -38.72 92.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 25.0 109.855 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.63 -31.16 69.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.784 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -67.58 -42.13 83.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.451 -0.781 . . . . 25.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.39 -41.54 81.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.161 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.67 -26.55 16.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 121.001 -1.062 . . . . 25.0 110.41 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.66 -29.41 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.131 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.8 -31.57 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.611 -1.236 . . . . 25.0 108.536 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -71.15 -20.64 62.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.01 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.69 -35.9 70.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -67.75 -44.85 76.54 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.4 m -68.06 -34.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.725 -0.79 . . . . 25.0 109.793 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.2 60.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.858 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.19 -48.31 10.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -111.43 -36.39 5.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -67.91 -20.91 65.14 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -40.9 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 117.652 2.464 . . . . 25.0 117.652 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 . . . . . 0 CA--C 1.56 1.351 0 O-C-N 121.281 -0.887 . . . . 25.0 111.444 174.766 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 CA--C 1.513 -0.475 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.32 -24.08 43.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.261 0.553 . . . . 25.0 110.315 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -30.48 71.52 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.859 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.47 -30.77 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -22.35 66.18 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 122.313 1.054 . . . . 25.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.72 -57.83 9.93 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.938 -1.028 . . . . 25.0 112.862 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 ptp -58.75 -26.13 63.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.13 -34.73 78.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.238 0.542 . . . . 25.0 110.682 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.9 p -74.07 -39.13 63.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.233 0.539 . . . . 25.0 111.26 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.65 -36.64 84.91 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -63.16 -39.91 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.31 75.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.973 0.17 . . . . 25.0 110.963 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 m -83.68 -31.31 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-O 121.252 0.548 . . . . 25.0 112.275 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -66.75 -56.21 11.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.332 1.063 . . . . 25.0 111.446 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -74.14 -14.0 60.9 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.027 -1.442 . . . . 25.0 111.351 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -108.3 -9.58 15.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.767 1.766 . . . . 25.0 115.767 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.466 ' HA ' HD13 ' A' ' 28' ' ' LEU . 95.5 p -64.87 160.78 19.7 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.047 1.294 . . . . 25.0 112.125 -176.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -10.04 68.55 Favored Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.666 -0.697 . . . . 25.0 112.508 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -60.53 -42.09 95.78 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -103.56 41.7 1.25 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 124.858 2.266 . . . . 25.0 115.665 -172.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.6 -30.35 6.16 Favored Glycine 0 C--N 1.288 -2.094 0 CA-C-N 112.48 -2.145 . . . . 25.0 116.083 167.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.66 155.64 42.28 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.978 0.889 . . . . 25.0 113.377 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -73.56 -24.52 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.005 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.08 4.67 19.59 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.114 0.483 . . . . 25.0 111.493 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -115.83 149.92 37.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 19' ' ' SER . 13.8 tp -154.72 144.65 21.71 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 105.245 -2.132 . . . . 25.0 105.245 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 p -78.43 152.03 32.38 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.081 0.467 . . . . 25.0 111.909 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -57.19 -40.99 78.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.549 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -53.91 -42.89 69.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 28' ' ' LEU . 21.3 tp10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.222 0.534 . . . . 25.0 110.173 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.89 -38.5 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.848 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -63.9 -32.7 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.419 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -45.65 14.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.85 -31.69 72.78 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.235 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.22 94.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 110.098 -0.334 . . . . 25.0 110.098 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.26 -24.03 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.662 -0.815 . . . . 25.0 111.155 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -30.82 66.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.483 -0.192 . . . . 25.0 110.483 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.89 -45.08 7.1 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 -64.99 1.02 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -172.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m 44.61 32.63 0.79 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.701 1.371 . . . . 25.0 114.701 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.75 -52.99 0.07 OUTLIER Glycine 0 C--N 1.332 0.345 0 CA-C-O 121.896 0.72 . . . . 25.0 113.332 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -14.66 61.4 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -174.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.44 -25.12 67.87 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.328 175.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -93.55 -27.34 16.69 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.715 1.245 . . . . 25.0 108.636 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.28 -10.64 60.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.182 -1.372 . . . . 25.0 113.536 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -64.44 138.73 58.57 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.252 -0.28 . . . . 25.0 110.799 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -123.44 -25.94 4.32 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.219 -0.3 . . . . 25.0 111.689 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -81.48 87.01 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.97 -35.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.453 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.13 -31.31 72.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.28 0.562 . . . . 25.0 110.962 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -57.86 3.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.302 0.572 . . . . 25.0 109.809 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.38 -31.98 55.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.8 -45.3 86.86 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.299 -0.56 . . . . 25.0 109.68 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.57 70.73 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.316 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.8 t -79.17 -44.88 24.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.287 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.88 -36.6 82.67 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.451 -0.781 . . . . 25.0 110.405 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -21.46 59.75 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.484 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.94 -45.63 34.07 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 105.241 -2.133 . . . . 25.0 105.241 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.548 -1.205 . . . . 25.0 110.398 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.95 -36.41 84.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -83.0 -33.27 26.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.138 0.97 . . . . 25.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.69 6.9 44.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.464 -1.244 . . . . 25.0 113.313 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.69 -30.48 74.96 Favored Glycine 0 CA--C 1.504 -0.617 0 CA-C-N 115.879 -0.601 . . . . 25.0 113.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.46 0.51 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.49 -166.63 39.17 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -132.25 144.24 50.48 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.853 -1.174 . . . . 25.0 113.364 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 m -148.58 -179.07 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 25.0 108.821 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -129.06 -174.17 3.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -55.85 -38.32 69.92 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.35 -36.9 85.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.31 -39.73 89.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.358 174.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.73 -44.02 91.5 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.238 -0.914 . . . . 25.0 110.292 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -32.3 55.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 O-C-N 122.228 -0.295 . . . . 25.0 111.72 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.1 -26.33 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.338 -0.851 . . . . 25.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -29.57 69.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -82.64 -33.52 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 118.71 -1.196 . . . . 25.0 109.164 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -20.66 63.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.829 -0.544 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.422 0.629 . . . . 25.0 109.502 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 mt -75.32 -36.06 61.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -46.45 77.08 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.904 0.383 . . . . 25.0 111.788 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.61 -32.78 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 119.77 -0.772 . . . . 25.0 111.113 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 -29.56 57.55 Favored 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 20.9 t -81.59 -54.92 5.01 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.13 -45.46 5.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.978 0.894 . . . . 25.0 113.24 -168.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -72.0 -20.62 61.69 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -40.27 -16.4 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.745 2.498 . . . . 25.0 117.745 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 123.84 0.856 . . . . 25.0 111.646 173.407 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.23 0.068 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.04 -39.72 87.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.476 0.655 . . . . 25.0 109.797 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.71 -31.1 72.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.96 -25.53 37.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.491 -0.755 . . . . 25.0 111.647 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.7 m -69.44 -22.17 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.491 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.01 -54.9 32.77 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ptp -59.74 -26.01 65.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.05 -33.88 75.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.6 0.715 . . . . 25.0 110.449 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.0 p -74.34 -39.54 62.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.893 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -35.92 82.69 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.87 -39.61 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -44.79 78.03 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.347 -176.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -85.02 -32.43 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.7 -57.99 6.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.742 1.258 . . . . 25.0 111.311 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.79 -14.98 62.14 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.445 -1.707 . . . . 25.0 110.543 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.49 74.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -102.93 -3.57 25.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -65.86 159.88 24.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -171.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.14 10.62 41.76 Favored Glycine 0 C--O 1.22 -0.723 0 CA-C-N 114.953 -1.021 . . . . 25.0 112.639 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -80.73 -28.29 36.6 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.717 -0.284 . . . . 25.0 110.903 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -26.7 55.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 171.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.28 -29.56 4.52 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.17 -1.35 . . . . 25.0 115.14 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -103.0 155.21 18.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 119.781 1.79 . . . . 25.0 113.116 175.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -23.09 64.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -172.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -111.62 15.93 20.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 25.0 111.295 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.17 151.41 50.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.555 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 28' ' ' LEU . 5.0 mt -154.12 164.29 38.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 99.0 p -86.01 158.48 19.84 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -62.06 -41.56 98.27 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.661 0.267 . . . . 25.0 111.44 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.1 -36.35 72.76 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 121.113 0.482 . . . . 25.0 111.391 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -38.95 85.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.328 0.585 . . . . 25.0 110.795 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -37.21 83.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.263 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.65 -40.29 91.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.358 . . . . 25.0 110.861 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.57 -38.01 35.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.11 -29.57 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.302 -0.874 . . . . 25.0 110.118 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.88 -43.63 95.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.904 -0.498 . . . . 25.0 110.328 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.98 -22.62 42.34 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.997 -0.681 . . . . 25.0 111.18 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -27.99 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.528 0.204 . . . . 25.0 111.217 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.99 -44.89 5.35 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.68 0.993 . . . . 25.0 113.68 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.38 -61.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.877 -174.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.75 29.79 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.41 -52.4 0.08 OUTLIER Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.553 0.529 . . . . 25.0 113.325 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.2 m-85 -71.41 -16.48 62.4 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 -175.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.97 -25.1 67.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.184 -0.916 . . . . 25.0 109.654 175.192 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -99.83 -26.44 14.02 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.841 1.305 . . . . 25.0 109.029 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -71.12 -5.02 28.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.394 -1.276 . . . . 25.0 113.022 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HB3' HG11 ' B' ' 54' ' ' VAL . 53.0 mt-30 -64.41 141.58 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.348 0.259 . . . . 25.0 111.484 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -129.47 -24.31 2.8 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.423 ' H ' ' HB1' ' B' ' 84' ' ' ALA . 66.7 t0 -79.88 90.75 5.32 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 174.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.7 -36.16 75.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.299 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.61 -31.21 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.272 0.558 . . . . 25.0 111.141 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.72 -57.79 3.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.563 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' B' ' 48' ' ' GLN . 26.8 m -65.97 -30.41 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 N-CA-C 113.854 1.057 . . . . 25.0 113.854 -170.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.53 -44.34 91.16 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.36 73.16 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.328 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.53 -43.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.365 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.6 mtp -65.68 -41.01 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.686 -0.634 . . . . 25.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -26.12 64.47 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 119.942 -0.703 . . . . 25.0 111.547 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -74.53 -47.0 35.44 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -36.55 84.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.062 0.458 . . . . 25.0 110.313 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.33 -31.08 71.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.18 -11.79 25.62 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.3 10.51 11.99 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.77 68.1 Favored Glycine 0 C--O 1.227 -0.309 0 N-CA-C 114.637 0.615 . . . . 25.0 114.637 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -86.39 7.84 24.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.065 0.433 . . . . 25.0 111.985 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.56 -156.74 25.49 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.133 -1.987 . . . . 25.0 108.133 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -138.46 148.86 44.84 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.78 -179.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.614 -1.175 . . . . 25.0 109.741 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.33 -174.31 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.92 -42.2 79.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.28 -40.59 94.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.511 -0.551 . . . . 25.0 109.511 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -29.92 68.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 25.0 111.544 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -66.58 -41.29 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.669 -0.812 . . . . 25.0 109.183 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.18 -38.06 75.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.938 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.15 -37.32 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.44 -35.91 82.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.265 -0.425 . . . . 25.0 112.063 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.66 -31.19 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.527 -0.869 . . . . 25.0 109.156 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.71 -20.6 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.3 68.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.09 54.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.51 -46.71 75.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.16 -35.04 74.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.569 -177.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB1' ' H ' ' B' ' 50' ' ' ASP . . . -76.03 -32.78 59.52 Favored 'General case' 0 C--O 1.201 -1.467 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.419 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.5 -44.96 33.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -108.38 -51.18 2.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.66 -21.0 64.47 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -46.34 -15.86 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.174 2.657 . . . . 25.0 118.174 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 123.114 0.565 . . . . 25.0 111.282 173.098 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.217 -0.636 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -30.11 61.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -26.95 68.94 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.61 -25.19 49.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.162 0.506 . . . . 25.0 111.632 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -22.24 52.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.65 0.738 . . . . 25.0 109.578 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.42 -58.08 7.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.488 -0.778 . . . . 25.0 112.702 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -33.63 65.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.64 -34.75 74.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.863 0.363 . . . . 25.0 111.677 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 59.0 p -71.69 -38.76 70.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 25.0 110.888 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.44 -37.27 84.79 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.1 -38.04 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -47.03 76.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.973 0.171 . . . . 25.0 111.1 -178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.23 -31.86 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.288 0.566 . . . . 25.0 112.15 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -65.91 -59.03 4.25 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 122.688 1.232 . . . . 25.0 110.78 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -72.11 -15.12 61.99 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.425 -1.716 . . . . 25.0 111.117 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -40.37 85.35 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.038 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -94.89 -8.93 35.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -63.9 156.39 27.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.201 1.556 . . . . 25.0 115.201 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.83 -5.92 43.55 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.768 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -61.34 -40.77 95.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.302 0.572 . . . . 25.0 109.895 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -106.33 41.86 1.36 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 124.845 2.259 . . . . 25.0 115.548 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.09 -30.86 7.55 Favored Glycine 0 C--N 1.289 -2.076 0 CA-C-N 112.321 -2.218 . . . . 25.0 114.753 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -137.69 160.46 39.16 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -11.13 50.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -105.99 8.88 32.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -132.03 161.54 32.94 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.96 168.46 26.7 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 153.84 17.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -55.89 -39.52 71.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.182 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -56.51 -42.43 78.38 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.66 -39.25 93.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.04 -0.527 . . . . 25.0 111.196 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -61.33 -39.55 90.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 25.0 109.723 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -45.42 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -175.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.03 -32.63 74.22 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.04 0.448 . . . . 25.0 110.096 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.97 -49.55 69.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.821 -0.549 . . . . 25.0 109.863 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.14 -24.42 57.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.692 -0.803 . . . . 25.0 111.125 -172.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.08 63.65 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.124 0.265 . . . . 25.0 110.378 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.21 -43.09 8.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.422 0.629 . . . . 25.0 111.842 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -64.46 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m 43.04 36.21 0.89 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.7 -49.73 0.06 OUTLIER Glycine 0 C--N 1.334 0.455 0 CA-C-O 121.653 0.585 . . . . 25.0 113.162 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -18.97 63.05 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -176.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.113 -0.949 . . . . 25.0 109.498 177.629 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.17 -26.74 19.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.709 1.242 . . . . 25.0 108.786 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.74 -9.28 58.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.321 -1.308 . . . . 25.0 112.672 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -73.8 117.93 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -108.91 -17.4 13.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.123 -0.361 . . . . 25.0 111.769 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -83.58 93.98 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.209 0.528 . . . . 25.0 110.816 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -34.68 66.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.418 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.46 -32.83 71.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.86 -0.736 . . . . 25.0 111.294 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 -52.64 17.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 25.0 109.823 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.94 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.808 -0.357 . . . . 25.0 111.542 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.44 -36.71 85.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.248 0.547 . . . . 25.0 110.532 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -83.43 -32.25 26.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 25.0 111.635 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.6 -38.34 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 116.563 -0.29 . . . . 25.0 111.762 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 mmt -68.29 -35.8 78.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.986 -1.086 . . . . 25.0 109.851 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -72.34 -29.42 63.79 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.401 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.43 -45.05 77.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 106.585 -1.635 . . . . 25.0 106.585 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -29.23 70.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.458 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.3 -38.78 75.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.159 0.504 . . . . 25.0 111.369 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.61 -35.65 45.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 122.206 1.003 . . . . 25.0 110.642 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -103.93 5.15 35.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 25.0 114.115 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.17 -31.59 69.58 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 121.827 -0.225 . . . . 25.0 113.636 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -83.53 0.45 46.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 -178.98 41.91 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 107.302 -2.319 . . . . 25.0 107.302 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -119.1 143.88 46.92 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 112.951 -1.625 . . . . 25.0 112.491 -172.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.85 -178.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.875 -1.057 . . . . 25.0 109.774 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.31 -174.14 3.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.27 -0.269 . . . . 25.0 110.318 -174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -65.79 -37.58 86.68 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.72 -33.32 70.73 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.339 -0.544 . . . . 25.0 110.49 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.25 -43.84 85.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.034 -1.041 . . . . 25.0 109.947 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -64.66 -29.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.8 -28.23 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.159 -0.963 . . . . 25.0 109.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.56 -29.32 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.08 -33.57 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 118.884 -1.126 . . . . 25.0 109.461 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.03 -20.68 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.753 -0.592 . . . . 25.0 111.351 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.7 73.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.458 0.647 . . . . 25.0 109.754 174.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -36.07 70.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 m -67.23 -45.01 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.992 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.21 -31.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 119.883 -0.727 . . . . 25.0 110.52 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.45 64.68 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.0 t -84.65 -51.52 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.659 0.743 . . . . 25.0 112.9 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.75 -38.97 7.64 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.956 1.465 . . . . 25.0 114.956 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -18.9 62.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.897 -0.502 . . . . 25.0 109.878 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -40.72 -25.42 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.249 2.314 . . . . 25.0 117.249 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.318 -0.782 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 176.574 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 25.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.07 -40.72 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.039 0.447 . . . . 25.0 110.436 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -30.5 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.74 0.645 . . . . 25.0 112.74 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.0 -24.77 35.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 120.165 -0.614 . . . . 25.0 112.235 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -71.49 -20.35 62.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.74 -53.17 58.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -32.57 69.76 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.21 0.459 . . . . 25.0 111.706 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.74 -33.38 70.18 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.845 0.458 . . . . 25.0 111.691 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 52.2 p -72.72 -39.51 66.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.87 -0.519 . . . . 25.0 110.841 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.49 80.5 Favored 'General case' 0 C--O 1.207 -1.149 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.81 -39.42 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -45.99 80.15 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.273 0.358 . . . . 25.0 111.161 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.81 -30.98 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -66.24 -60.56 2.67 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.301 1.048 . . . . 25.0 110.612 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -70.77 -15.35 62.67 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.939 -1.482 . . . . 25.0 111.618 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.88 74.42 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.02 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -115.88 5.02 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -76.15 166.51 23.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.458 1.281 . . . . 25.0 114.458 -173.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.15 0.58 55.96 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.549 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.82 -41.78 95.48 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -98.94 41.91 1.12 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 124.936 2.303 . . . . 25.0 115.226 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.55 -30.82 6.55 Favored Glycine 0 C--N 1.289 -2.08 0 CA-C-N 112.557 -2.11 . . . . 25.0 115.139 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -137.44 156.29 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.619 0.709 . . . . 25.0 112.728 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -16.66 58.89 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -175.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.79 5.03 49.66 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -127.26 156.84 41.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.657 -1.238 . . . . 25.0 107.657 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 3.5 mt -157.22 157.77 34.95 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.187 -1.782 . . . . 25.0 106.187 175.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -81.0 153.39 27.46 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -58.09 -40.49 81.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.208 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.67 -39.14 90.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.58 -39.1 88.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.506 0.669 . . . . 25.0 109.524 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.29 -38.91 92.73 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.63 -0.713 . . . . 25.0 110.06 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.43 -36.24 83.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.681 0.276 . . . . 25.0 110.287 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -46.47 44.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -177.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.38 -30.6 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.237 -0.585 . . . . 25.0 110.481 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.71 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.935 -0.478 . . . . 25.0 110.206 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.25 -22.41 41.74 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.926 -0.71 . . . . 25.0 111.033 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.3 57.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 25.0 110.56 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.95 -45.12 6.4 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.882 1.068 . . . . 25.0 113.882 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -66.1 0.93 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.774 -173.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.1 t 40.38 41.48 1.05 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.19 -43.89 0.07 OUTLIER Glycine 0 C--O 1.223 -0.563 0 N-CA-C 112.088 -0.405 . . . . 25.0 112.088 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -70.82 -18.07 62.74 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.207 0.817 . . . . 25.0 113.207 -176.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.9 -21.9 66.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.404 175.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.34 -26.67 12.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.054 0.93 . . . . 25.0 109.544 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -73.39 -26.01 60.8 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.398 -177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -64.84 147.31 53.49 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.226 1.01 . . . . 25.0 111.139 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -128.94 -34.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.17 94.28 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.934 0.397 . . . . 25.0 110.695 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.93 -35.21 72.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.653 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.99 -31.53 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.316 0.579 . . . . 25.0 111.09 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.63 -56.72 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.002 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.49 -33.31 62.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -171.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.38 -46.07 84.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.444 0.64 . . . . 25.0 110.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.37 70.97 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.903 -175.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.508 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.7 mmt -65.28 -40.09 93.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.435 -0.79 . . . . 25.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -74.18 -19.18 60.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.106 -0.637 . . . . 25.0 111.701 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -76.28 -47.43 23.77 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 105.21 -2.145 . . . . 25.0 105.21 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -32.93 72.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.984 -1.007 . . . . 25.0 111.306 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.4 -39.93 89.32 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.448 -0.501 . . . . 25.0 112.228 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -84.22 -29.97 26.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.824 0.821 . . . . 25.0 111.417 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -101.87 7.24 41.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.144 -0.934 . . . . 25.0 112.911 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.64 65.9 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 119.883 -0.399 . . . . 25.0 114.084 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.09 4.56 33.56 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.485 0.314 . . . . 25.0 111.64 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.04 -170.68 39.94 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.663 -2.575 . . . . 25.0 106.663 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.63 149.29 52.55 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -144.68 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.432 -1.258 . . . . 25.0 108.397 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.97 -174.13 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -57.67 -41.63 81.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.739 0.304 . . . . 25.0 111.211 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -66.1 -41.67 90.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.434 HG12 HG13 ' A' ' 75' ' ' VAL . 67.6 t -60.49 -37.7 75.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.408 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.3 -38.22 73.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.43 -38.05 89.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.238 -0.437 . . . . 25.0 111.695 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -76.63 -28.59 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.614 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.53 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.995 -0.441 . . . . 25.0 112.096 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.45 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -78.15 -33.91 50.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.633 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.2 m -66.52 -46.39 76.36 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.51 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.839 -0.801 . . . . 25.0 108.839 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.24 73.45 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 116.33 -0.396 . . . . 25.0 111.241 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.85 -44.37 23.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -105.07 -49.74 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -171.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.83 -16.28 61.14 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -47.19 -15.59 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.376 2.361 . . . . 25.0 117.376 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 123.604 0.762 . . . . 25.0 111.351 173.647 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.85 -26.9 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -28.84 70.32 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.55 -22.86 40.4 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.804 0.729 . . . . 25.0 112.17 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -22.16 62.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.349 0.595 . . . . 25.0 110.573 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -58.75 6.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -32.96 63.6 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.49 -36.38 71.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.154 0.502 . . . . 25.0 111.638 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 42.7 p -73.36 -39.96 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.551 . . . . 25.0 111.43 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -36.19 82.85 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.61 -38.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.91 78.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.855 0.097 . . . . 25.0 111.255 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.25 -31.32 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.17 0.509 . . . . 25.0 112.26 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -71.01 -54.96 9.36 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 122.551 1.167 . . . . 25.0 111.439 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.31 -14.03 62.07 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 113.609 -1.632 . . . . 25.0 110.546 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.95 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -101.83 -13.79 17.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.5 p -63.93 154.06 35.06 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.359 -0.838 . . . . 25.0 109.807 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.2 -16.56 58.03 Favored Glycine 0 C--O 1.224 -0.522 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.37 -31.58 72.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -77.48 -25.59 50.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.593 0.711 . . . . 25.0 110.905 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.5 -26.06 5.26 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-O 119.524 -0.598 . . . . 25.0 114.063 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.42 153.42 33.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.015 0.908 . . . . 25.0 111.43 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -113.46 5.04 16.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.765 0.283 . . . . 25.0 111.765 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.22 148.47 43.63 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.559 0.695 . . . . 25.0 110.085 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -155.89 149.55 25.03 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 106.981 -1.489 . . . . 25.0 106.981 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 96.3 p -75.29 151.94 38.27 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.908 -177.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -59.25 -43.84 92.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.94 -0.304 . . . . 25.0 111.246 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -55.56 -39.22 70.36 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.81 -36.52 83.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 25.0 111.137 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.39 -37.11 85.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.205 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.62 -32.78 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.269 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.47 -47.39 23.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.601 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.22 -29.98 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.828 -0.545 . . . . 25.0 110.83 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -44.43 94.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.941 -0.474 . . . . 25.0 109.88 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -80.25 -22.42 41.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.85 -0.74 . . . . 25.0 111.361 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -27.77 60.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.569 0.211 . . . . 25.0 111.569 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.82 -44.97 5.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.955 0.724 . . . . 25.0 112.955 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -62.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -172.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.1 p 44.53 34.37 1.09 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.884 1.438 . . . . 25.0 114.884 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.07 -48.65 0.06 OUTLIER Glycine 0 C--O 1.224 -0.479 0 CA-C-O 121.779 0.655 . . . . 25.0 112.891 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -12.26 60.53 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 121.676 -0.896 . . . . 25.0 113.384 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.68 -24.42 67.0 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.232 -0.894 . . . . 25.0 108.985 175.508 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -86.91 -36.53 18.33 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.3 19.37 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.404 -1.725 . . . . 25.0 114.259 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.6 mt-30 -74.45 114.03 12.37 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.903 -0.498 . . . . 25.0 109.929 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -107.05 -19.32 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.268 -0.27 . . . . 25.0 111.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -84.3 83.25 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -34.66 68.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.579 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.15 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.261 0.553 . . . . 25.0 110.983 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -58.64 3.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 48' ' ' GLN . 21.9 m -66.71 -29.4 46.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -172.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.12 -41.93 99.44 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -32.08 64.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.963 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.65 -41.0 17.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 122.712 0.405 . . . . 25.0 111.261 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 92.4 mtp -64.5 -39.79 94.45 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.221 -0.924 . . . . 25.0 109.322 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -72.21 -29.24 63.78 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.219 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.76 -44.86 84.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 106.253 -1.758 . . . . 25.0 106.253 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -29.45 70.69 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.707 -1.133 . . . . 25.0 110.559 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -71.95 -34.87 69.36 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.359 -0.838 . . . . 25.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -79.72 -36.5 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.3 1.048 . . . . 25.0 110.389 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -101.72 3.55 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.168 -1.378 . . . . 25.0 113.336 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.4 -27.83 70.09 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.62 -0.718 . . . . 25.0 114.284 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.76 -1.71 39.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.459 0.153 . . . . 25.0 111.335 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.08 -171.38 32.49 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 108.696 -1.762 . . . . 25.0 108.696 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -130.79 150.03 52.15 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 113.361 -1.419 . . . . 25.0 114.48 -171.106 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.13 -179.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 113.965 -1.471 . . . . 25.0 111.041 -170.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.92 -174.22 3.25 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -56.94 -39.54 74.72 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.37 -35.91 81.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.81 -34.46 75.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.319 0.58 . . . . 25.0 110.68 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -69.83 -44.59 69.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.515 -0.741 . . . . 25.0 111.048 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -31.63 51.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.883 -0.51 . . . . 25.0 112.12 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -81.69 -27.4 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.111 -0.993 . . . . 25.0 110.208 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.78 -29.45 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.51 -33.14 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 118.876 -1.13 . . . . 25.0 109.494 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.83 63.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.808 -0.557 . . . . 25.0 111.441 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.32 72.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 25.0 109.29 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.93 -34.27 62.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.13 -45.99 75.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.69 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.12 -33.66 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.532 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.14 -27.31 61.59 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 122.169 -0.332 . . . . 25.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.53 -54.64 4.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.023 0.916 . . . . 25.0 112.675 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -96.6 -46.44 6.32 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 114.484 -1.234 . . . . 25.0 113.528 -168.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.318 39.7 m-20 -69.21 -20.61 63.97 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.698 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -42.39 -17.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 CA--C 1.557 1.24 0 CA-C-O 121.39 0.614 . . . . 25.0 111.437 176.067 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.38 -42.32 75.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.485 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -33.61 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.68 -22.65 50.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.006 0.743 . . . . 25.0 113.006 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -72.01 -22.12 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.43 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -51.27 -55.7 16.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -30.91 65.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.38 -29.94 70.23 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 122.808 0.443 . . . . 25.0 111.759 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -80.48 -34.27 35.97 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.093 -0.643 . . . . 25.0 111.337 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.407 HG13 ' CE1' ' B' ' 71' ' ' PHE . 22.4 mt -61.62 -41.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -45.16 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.204 0.315 . . . . 25.0 111.294 -176.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.55 -30.86 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.24 -55.41 10.64 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-O 122.451 1.12 . . . . 25.0 110.47 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -72.3 -14.38 61.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.739 -1.573 . . . . 25.0 111.984 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.88 82.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -103.94 -12.2 16.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -62.72 149.91 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.269 -0.894 . . . . 25.0 110.743 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.29 -12.92 60.22 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.536 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -65.63 -29.25 69.8 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.556 -0.379 . . . . 25.0 110.368 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -78.4 -25.59 46.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.508 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -23.26 5.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-O 119.269 -0.739 . . . . 25.0 114.327 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.4 154.09 35.61 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.342 1.071 . . . . 25.0 112.23 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -24.23 64.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -108.11 8.24 28.02 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.858 0.361 . . . . 25.0 111.181 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -123.05 148.58 45.43 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 121.448 0.642 . . . . 25.0 111.91 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -156.78 144.32 19.07 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -71.87 152.64 42.45 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.327 -0.233 . . . . 25.0 111.35 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -55.61 -46.54 77.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -55.98 -40.9 73.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.15 -37.47 87.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.33 0.586 . . . . 25.0 111.405 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.59 -37.29 87.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.281 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.06 -31.64 71.43 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.89 -48.08 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.367 0.267 . . . . 25.0 111.334 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.2 -29.79 66.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.667 -0.645 . . . . 25.0 111.072 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.616 -0.677 . . . . 25.0 110.446 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -80.75 -23.05 39.66 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.628 -0.67 . . . . 25.0 110.539 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -32.71 51.9 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.609 -0.269 . . . . 25.0 111.64 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.34 -44.86 6.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -60.38 1.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.067 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 46.77 27.82 0.73 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.95 -55.11 0.09 OUTLIER Glycine 0 C--N 1.333 0.391 0 CA-C-O 121.442 0.468 . . . . 25.0 113.041 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -21.4 63.75 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 114.452 1.279 . . . . 25.0 114.452 -174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.519 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -60.55 -26.18 66.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.943 176.085 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -99.83 -20.9 15.96 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.558 1.171 . . . . 25.0 109.44 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -13.71 62.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.59 -1.187 . . . . 25.0 111.551 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.01 144.1 57.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.849 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -127.54 -25.18 3.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.198 0.599 . . . . 25.0 112.518 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -72.73 96.83 2.09 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.962 0.41 . . . . 25.0 110.241 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.22 -36.15 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.396 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.77 -37.57 76.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.196 -1.002 . . . . 25.0 109.913 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.52 62.23 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.49 -36.72 78.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.619 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.02 -46.9 79.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.921 0.391 . . . . 25.0 110.435 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.19 -32.49 59.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.12 -40.09 21.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.88 -0.146 . . . . 25.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.8 -41.89 91.35 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 118.926 -1.11 . . . . 25.0 109.578 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -70.72 -24.99 62.75 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.256 -0.577 . . . . 25.0 111.686 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.38 -50.18 48.56 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -32.52 73.93 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.165 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -67.83 -34.18 76.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -84.56 -32.89 23.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.91 0.862 . . . . 25.0 111.133 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -102.41 7.83 40.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.039 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.64 -32.87 61.92 Favored Glycine 0 C--N 1.321 -0.299 0 N-CA-C 115.494 0.958 . . . . 25.0 115.494 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -81.39 2.56 27.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.067 0.434 . . . . 25.0 111.541 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.67 -163.88 39.78 Favored Glycine 0 N--CA 1.438 -1.219 0 N-CA-C 109.267 -1.533 . . . . 25.0 109.267 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -131.69 146.18 52.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.047 -1.077 . . . . 25.0 113.462 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.03 178.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.556 0.742 . . . . 25.0 109.72 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.01 -175.02 3.64 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.851 -0.53 . . . . 25.0 110.569 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.407 ' CE1' HG13 ' B' ' 12' ' ' ILE . 71.0 t80 -58.2 -42.2 85.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.78 -41.98 98.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.86 -33.79 75.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.43 -0.908 . . . . 25.0 111.443 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.79 -41.67 99.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.145 -0.622 . . . . 25.0 109.51 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.27 -39.43 78.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.83 -35.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.61 -36.14 80.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.784 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -76.09 -29.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.54 -0.864 . . . . 25.0 108.795 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.98 -20.93 60.19 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.818 -0.551 . . . . 25.0 111.327 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -34.2 75.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -35.59 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -67.17 -48.11 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.162 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.73 -33.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.283 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.03 -25.93 59.1 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.624 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.18 -54.57 4.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.367 0.603 . . . . 25.0 112.52 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -104.71 -32.2 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -166.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.41 -20.99 35.98 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.978 -0.378 . . . . 25.0 109.978 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -40.79 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.681 2.845 . . . . 25.0 118.681 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 123.768 0.827 . . . . 25.0 111.211 176.225 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 108.431 -0.951 . . . . 25.0 108.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.72 -28.69 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 116.839 2.162 . . . . 25.0 116.839 -171.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.744 -0.598 . . . . 25.0 111.333 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.7 -25.12 35.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 119.31 -0.956 . . . . 25.0 111.983 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -22.4 66.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 25.0 110.188 174.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.83 -52.08 65.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptp -61.2 -25.4 67.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.47 -33.35 75.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.228 0.537 . . . . 25.0 110.543 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.3 p -73.17 -38.37 66.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.123 0.487 . . . . 25.0 110.937 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.52 -37.07 86.26 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.76 -38.5 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.64 -48.21 72.55 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.033 0.208 . . . . 25.0 110.871 -179.073 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 ' ND2' ' A' ' 13' ' ' ASN . 33.7 m -82.99 -30.93 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.192 0.52 . . . . 25.0 112.148 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.61 -57.71 7.5 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 122.427 1.108 . . . . 25.0 110.801 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.64 -17.03 61.7 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.87 -1.513 . . . . 25.0 110.823 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.5 78.08 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.887 -0.725 . . . . 25.0 109.114 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -103.99 -3.73 24.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.544 ' HA ' HD13 ' A' ' 28' ' ' LEU . 60.7 p -72.07 167.18 20.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.62 0.724 . . . . 25.0 112.155 -174.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.29 68.46 Favored Glycine 0 CA--C 1.51 -0.268 0 C-N-CA 120.758 -0.734 . . . . 25.0 111.75 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -62.32 -43.3 99.15 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -102.57 41.63 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.783 2.23 . . . . 25.0 115.729 -172.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -30.81 6.53 Favored Glycine 0 C--N 1.287 -2.183 0 CA-C-N 112.73 -2.032 . . . . 25.0 114.909 168.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.59 165.15 25.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.283 0.541 . . . . 25.0 110.508 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 64.8 pttt -93.01 -20.84 20.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 26.1 m-85 -90.54 -14.25 32.98 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.997 0.903 . . . . 25.0 108.62 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -111.93 155.68 23.31 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 113.8 -1.545 . . . . 25.0 107.689 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 19' ' ' SER . 15.9 tp -160.15 149.36 17.53 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -80.73 150.92 29.11 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.381 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 69' ' ' VAL . 32.8 mttm -57.02 -38.04 72.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.772 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -54.83 -41.72 71.05 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.65 -40.19 69.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.226 0.536 . . . . 25.0 110.218 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.59 -39.62 94.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.346 0.593 . . . . 25.0 110.77 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.02 -34.15 77.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.207 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -77.25 -44.41 29.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.74 -30.67 69.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.773 -0.58 . . . . 25.0 110.258 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.25 -43.59 97.57 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.97 -23.11 38.99 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.993 -0.683 . . . . 25.0 111.31 -175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -29.16 61.23 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.164 0.29 . . . . 25.0 111.726 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.19 -44.95 5.79 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -62.8 1.57 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.74 -173.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m 46.84 28.89 0.9 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.625 1.343 . . . . 25.0 114.625 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.77 -53.88 0.07 OUTLIER Glycine 0 C--N 1.332 0.309 0 CA-C-O 121.815 0.675 . . . . 25.0 113.305 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.63 -14.58 61.63 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.11 -24.87 67.85 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.139 -0.937 . . . . 25.0 109.308 175.049 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.5 -29.23 14.01 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.687 1.232 . . . . 25.0 108.998 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.39 52.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.234 . . . . 25.0 113.658 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -63.66 140.09 58.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.427 -0.212 . . . . 25.0 110.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.94 -25.03 3.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -79.96 89.31 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.37 -34.69 65.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.734 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.68 -36.8 76.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.332 -0.947 . . . . 25.0 110.702 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -53.93 42.2 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.89 -31.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.211 0.529 . . . . 25.0 110.102 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -76.23 -27.69 56.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.141 -0.482 . . . . 25.0 112.096 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.8 -42.15 17.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 122.375 0.27 . . . . 25.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.77 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.448 -0.782 . . . . 25.0 109.783 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -23.87 60.18 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 119.847 -0.741 . . . . 25.0 111.925 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -74.63 -44.68 49.34 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -34.79 75.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.065 -0.97 . . . . 25.0 110.429 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.97 -36.36 83.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.04 0.448 . . . . 25.0 111.938 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -84.1 -32.72 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.265 1.031 . . . . 25.0 111.662 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -103.87 4.99 35.48 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.208 -1.36 . . . . 25.0 113.823 -169.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.86 76.88 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 116.336 -0.393 . . . . 25.0 113.778 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.55 5.17 40.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.72 -163.6 39.52 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.96 146.3 40.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.449 -0.875 . . . . 25.0 112.004 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 30' ' ' LYS . 15.4 m -148.55 -178.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.244 -1.344 . . . . 25.0 108.795 -173.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.53 -174.17 3.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.296 0.498 . . . . 25.0 111.655 -174.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.83 -39.85 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.0 -36.76 85.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.75 -37.42 76.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 110.188 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -65.37 -43.0 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 25.0 111.531 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -62.97 -28.76 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 O-C-N 121.768 -0.582 . . . . 25.0 111.471 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.98 -36.88 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.1 -36.73 82.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.289 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -76.35 -34.14 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.105 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.56 62.81 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.72 71.82 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.59 -34.91 62.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -46.93 72.88 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -67.22 -33.99 66.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.141 -0.623 . . . . 25.0 110.185 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.36 66.67 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.896 -0.409 . . . . 25.0 109.896 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -79.17 -55.53 5.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -95.21 -44.57 7.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.37 -0.832 . . . . 25.0 113.006 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.48 -0.04 44.6 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.409 -171.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.45 -16.5 1.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.214 1.931 . . . . 25.0 116.214 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 C--N 1.317 -0.834 0 C-N-CA 123.581 0.752 . . . . 25.0 111.545 178.287 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 121.52 0.676 . . . . 25.0 110.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -35.72 81.76 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -31.29 71.87 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.417 0.895 . . . . 25.0 113.417 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.24 -26.93 32.79 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.556 -0.715 . . . . 25.0 110.796 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.5 m -69.86 -22.65 63.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.556 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.39 -54.3 45.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.428 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.0 ptp -61.8 -24.02 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.36 -31.23 72.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.595 0.712 . . . . 25.0 110.378 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 38.9 p -75.77 -39.73 56.56 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -35.75 81.94 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.53 -41.49 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -43.64 78.47 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.259 0.35 . . . . 25.0 111.129 -175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 m -86.79 -30.51 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -70.51 -55.39 9.04 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 122.414 1.102 . . . . 25.0 110.856 -175.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -71.27 -14.42 62.22 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.949 -1.478 . . . . 25.0 111.245 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.13 85.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -103.67 -13.75 16.38 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -61.55 147.71 44.57 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.193 -0.942 . . . . 25.0 110.309 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 -18.46 43.21 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.778 -0.929 . . . . 25.0 110.778 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.26 -30.59 71.64 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.668 0.271 . . . . 25.0 110.945 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.5 -25.95 57.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.702 0.763 . . . . 25.0 111.029 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.27 -25.99 5.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.167 -0.54 . . . . 25.0 112.963 -176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -117.33 152.72 34.33 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.531 0.682 . . . . 25.0 111.486 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -20.11 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -173.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -110.92 5.23 20.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 111.89 0.33 . . . . 25.0 111.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.5 149.53 43.77 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.601 0.715 . . . . 25.0 110.606 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -154.34 149.3 26.74 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 97.2 p -74.54 154.29 38.69 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.004 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -60.66 -46.28 90.94 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.292 -0.255 . . . . 25.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -55.41 -38.24 68.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.24 -39.7 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 25.0 110.937 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.67 -38.87 92.04 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.466 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -64.54 -32.65 74.38 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.231 -0.293 . . . . 25.0 110.751 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.26 -48.16 30.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 25.0 111.547 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.37 -28.13 63.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 25.0 110.917 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -48.34 78.23 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.733 -0.604 . . . . 25.0 110.222 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.57 -22.5 56.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.559 -0.713 . . . . 25.0 111.706 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -26.29 57.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.169 0.293 . . . . 25.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.46 -44.8 3.82 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.333 1.605 . . . . 25.0 115.333 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 44' ' ' PHE . 0.7 OUTLIER -62.98 -61.28 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -174.724 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m 41.98 32.04 0.27 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 117.132 2.271 . . . . 25.0 117.132 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.13 -57.7 0.06 OUTLIER Glycine 0 C--N 1.336 0.567 0 CA-C-O 122.639 1.133 . . . . 25.0 112.688 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 60.0 m-85 -75.51 -10.02 59.08 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 115.009 1.485 . . . . 25.0 115.009 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.548 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.75 -22.12 66.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.899 -1.501 . . . . 25.0 109.645 173.182 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.01 -36.87 8.44 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.46 -3.78 26.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 116.113 1.894 . . . . 25.0 116.113 -174.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.448 ' HG2' ' H ' ' B' ' 48' ' ' GLN . 3.2 pt20 -73.88 145.33 44.91 Favored 'General case' 0 N--CA 1.392 -3.331 0 C-N-CA 123.095 0.558 . . . . 25.0 110.856 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -125.62 -28.18 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.07 89.56 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.91 -34.25 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.201 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.24 -38.32 81.69 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.687 -0.805 . . . . 25.0 110.349 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -54.22 30.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.09 -36.39 76.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.021 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.1 -47.52 79.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.186 0.517 . . . . 25.0 110.764 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -70.84 -27.27 63.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.239 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -78.79 -44.81 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 43.2 mtm -61.99 -42.6 99.32 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 119.507 -0.877 . . . . 25.0 110.819 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -72.19 -28.97 63.55 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.969 -0.56 . . . . 25.0 111.646 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -67.89 -43.72 78.67 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -33.42 74.45 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.145 -0.934 . . . . 25.0 109.931 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -68.19 -34.27 75.98 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.581 -0.7 . . . . 25.0 112.51 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.86 -35.3 32.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.116 0.96 . . . . 25.0 110.506 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -102.13 7.6 40.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.374 -1.284 . . . . 25.0 113.057 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.25 -28.4 69.13 Favored Glycine 0 CA--C 1.503 -0.66 0 CA-C-N 115.952 -0.567 . . . . 25.0 114.512 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -0.65 34.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.28 -168.62 35.9 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 108.518 -1.833 . . . . 25.0 108.518 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -137.3 154.96 49.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.498 -1.351 . . . . 25.0 113.972 -171.158 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.48 -179.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 114.143 -1.39 . . . . 25.0 111.151 -171.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.98 -174.45 3.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.971 0.35 . . . . 25.0 110.894 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.96 -42.64 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.944 0.35 . . . . 25.0 111.944 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.28 -39.68 94.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.5 -31.99 70.58 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.987 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -64.65 -42.92 95.08 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.563 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -57.58 -42.74 81.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.932 -0.577 . . . . 25.0 112.482 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.85 -25.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 120.834 -1.166 . . . . 25.0 110.286 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.53 -28.53 67.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 25.0 109.918 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 m -84.02 -32.88 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 118.823 -1.151 . . . . 25.0 108.984 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.997 0.739 . . . . 25.0 112.997 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.96 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 25.0 109.7 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.29 -33.72 49.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.533 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -44.72 87.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.36 -33.9 62.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.794 -0.762 . . . . 25.0 109.48 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.71 -31.86 71.25 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 122.062 -0.399 . . . . 25.0 110.124 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.09 -49.68 13.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -104.22 -40.32 6.18 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -21.07 63.11 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 122.061 -0.399 . . . . 25.0 110.367 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.13 -22.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.897 2.184 . . . . 25.0 116.897 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--N 1.316 -0.877 0 O-C-N 121.635 -0.666 . . . . 25.0 112.28 176.514 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.7 t . . . . . 0 C--O 1.214 -0.79 0 CA-C-O 120.488 0.185 . . . . 25.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -26.42 68.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 170.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -31.31 70.94 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.15 -30.11 43.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -21.91 62.89 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.13 -54.63 32.93 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.48 -28.14 66.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.0 mm-40 -65.99 -30.18 70.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.266 0.555 . . . . 25.0 110.649 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 39.2 p -74.46 -37.79 63.14 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.661 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -37.05 85.64 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 9' ' ' GLU . 70.1 mt -63.12 -38.92 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -46.21 74.87 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.977 0.173 . . . . 25.0 111.25 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -84.84 -31.66 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 112.491 0.552 . . . . 25.0 112.491 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.62 -55.98 14.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.404 1.097 . . . . 25.0 110.557 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -74.22 -15.99 60.98 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.756 -1.565 . . . . 25.0 111.25 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.64 81.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.621 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -100.01 -0.92 38.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 112.169 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -69.11 157.37 37.0 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.99 -3.85 58.74 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 114.934 -1.03 . . . . 25.0 112.67 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -68.31 -24.78 64.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.349 -0.501 . . . . 25.0 109.687 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.56 -27.44 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.516 0.674 . . . . 25.0 109.909 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.57 -30.14 4.31 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.827 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.04 155.88 23.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 112.178 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -77.26 -27.63 53.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.397 1.079 . . . . 25.0 112.723 -172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -103.93 9.09 36.85 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.471 -1.241 . . . . 25.0 110.822 -171.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -135.36 157.63 46.42 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-N 114.221 -1.354 . . . . 25.0 107.872 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 28' ' ' LEU . 5.1 mt -157.15 153.1 27.18 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 173.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -71.28 153.02 42.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -56.27 -41.86 76.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.65 -37.87 82.95 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -63.79 -38.14 89.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.444 0.64 . . . . 25.0 109.942 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.53 -37.07 84.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.575 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.93 -35.59 81.04 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.91 -46.45 44.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.77 -28.69 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.788 -0.57 . . . . 25.0 111.469 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.18 -43.93 96.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.797 -0.564 . . . . 25.0 109.79 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.03 -22.34 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.816 -0.754 . . . . 25.0 111.331 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -25.58 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.628 -0.429 . . . . 25.0 111.556 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.07 -45.22 4.58 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -64.11 1.22 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m 43.89 30.16 0.37 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.28 -55.51 0.1 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.719 0.622 . . . . 25.0 113.241 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -20.92 62.77 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.63 -24.79 67.94 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.023 -0.99 . . . . 25.0 110.408 177.589 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -96.28 -21.96 17.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 122.74 1.257 . . . . 25.0 108.912 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.74 4.33 14.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.246 -1.343 . . . . 25.0 111.947 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -78.92 114.24 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 25.0 110.861 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.32 -26.81 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.436 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.53 94.76 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.53 0.681 . . . . 25.0 111.241 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.88 -33.69 63.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.133 -0.939 . . . . 25.0 111.383 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.8 -40.49 83.87 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.377 -0.929 . . . . 25.0 109.91 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.18 -50.15 67.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.314 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.9 -31.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.584 -0.447 . . . . 25.0 110.466 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.82 -25.32 58.94 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.889 -0.507 . . . . 25.0 111.291 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -83.54 -43.41 15.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.135 -0.353 . . . . 25.0 111.257 176.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.9 -37.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.323 0.861 . . . . 25.0 113.323 -172.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.4 mmm -64.26 -43.51 94.63 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.918 -1.113 . . . . 25.0 109.255 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 56' ' ' LYS . 18.8 pttp -70.38 -27.44 64.31 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.507 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -49.58 66.29 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.944 -1.873 . . . . 25.0 105.944 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -29.77 70.56 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.211 -0.904 . . . . 25.0 111.445 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.32 -34.2 74.29 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.604 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -88.94 -28.66 20.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.621 0.724 . . . . 25.0 112.552 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -108.13 6.87 27.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.968 -1.015 . . . . 25.0 113.091 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.0 -32.15 66.21 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.532 0.573 . . . . 25.0 114.532 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.33 6.74 28.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.86 -160.56 35.05 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.311 -1.916 . . . . 25.0 108.311 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.51 145.44 51.16 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -173.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -147.84 177.1 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.422 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.65 -174.21 3.24 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.211 -0.306 . . . . 25.0 110.793 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.16 -41.47 75.5 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -65.85 -39.22 90.57 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.16 -29.33 67.32 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.407 -0.808 . . . . 25.0 110.804 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -68.94 -41.55 77.92 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.434 -0.791 . . . . 25.0 108.996 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.754 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.2 -38.62 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.495 -0.775 . . . . 25.0 111.875 175.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.58 -40.16 79.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.79 -35.51 80.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.048 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.36 -34.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.403 -0.919 . . . . 25.0 108.982 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -20.58 61.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.017 -0.427 . . . . 25.0 111.621 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.24 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.381 0.61 . . . . 25.0 109.368 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.58 -37.27 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -43.51 75.42 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.977 -178.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.39 -33.21 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.487 -0.885 . . . . 25.0 110.18 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.96 -25.0 61.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 120.103 -0.639 . . . . 25.0 109.344 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.6 t -84.27 -48.56 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -109.95 -35.61 6.1 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.039 1.496 . . . . 25.0 115.039 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -20.8 61.75 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -42.59 -20.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.558 2.059 . . . . 25.0 116.558 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--N 1.314 -0.959 0 O-C-N 121.588 -0.695 . . . . 25.0 112.499 177.166 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 121.359 0.599 . . . . 25.0 110.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.05 -36.67 83.87 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.648 -0.657 . . . . 25.0 110.081 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -31.96 73.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -175.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.23 -30.51 54.58 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.491 -0.756 . . . . 25.0 111.669 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 m -71.27 -20.34 62.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.46 -56.27 18.34 Favored 'General case' 0 N--CA 1.442 -0.853 0 O-C-N 121.394 -0.816 . . . . 25.0 112.219 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -60.38 -26.36 66.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -63.84 -32.84 74.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.336 0.589 . . . . 25.0 110.632 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.545 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 51.2 p -74.2 -39.14 63.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.414 -0.514 . . . . 25.0 111.056 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -37.62 88.25 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.45 -40.87 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -45.62 72.66 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.975 0.172 . . . . 25.0 111.349 -177.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.3 -31.07 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.66 -57.5 7.95 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 122.475 1.131 . . . . 25.0 110.749 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -19.81 63.52 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.88 -1.509 . . . . 25.0 110.689 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.8 94.37 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.234 -0.587 . . . . 25.0 110.797 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -97.08 -0.99 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.44 -0.346 . . . . 25.0 111.604 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -65.42 152.79 43.05 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.33 -7.48 54.23 Favored Glycine 0 C--O 1.222 -0.62 0 CA-C-N 115.39 -0.823 . . . . 25.0 113.031 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -67.92 -19.51 65.0 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.564 -0.374 . . . . 25.0 111.118 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.31 -26.37 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.418 0.627 . . . . 25.0 110.731 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -28.91 4.62 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -121.03 157.39 30.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 171.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -93.26 -15.32 25.97 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -90.44 6.17 44.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.825 1.298 . . . . 25.0 108.617 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -134.51 159.37 41.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.025 -1.898 . . . . 25.0 107.388 -173.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.9 mt -158.81 149.47 19.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 171.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.0 p -70.59 151.2 45.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -56.06 -41.39 75.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.449 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -59.66 -38.84 82.55 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.52 -38.56 91.6 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.335 0.588 . . . . 25.0 109.787 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.47 -37.54 85.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.989 -0.445 . . . . 25.0 110.365 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.91 -45.34 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.853 -0.158 . . . . 25.0 111.007 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.44 -29.41 64.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.725 -0.61 . . . . 25.0 110.664 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.37 -42.04 98.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.615 -0.678 . . . . 25.0 110.112 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.53 -22.65 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.333 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -32.47 55.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.745 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 6.9 mm-40 -101.24 -45.27 5.41 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.447 1.647 . . . . 25.0 115.447 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 -66.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.169 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.85 34.59 0.28 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -173.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.9 -56.69 0.08 OUTLIER Glycine 0 C--O 1.222 -0.607 0 CA-C-O 121.507 0.504 . . . . 25.0 113.377 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -23.2 63.94 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -173.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.18 -23.64 66.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.841 -1.072 . . . . 25.0 110.661 178.224 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -106.73 5.51 28.8 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.349 1.071 . . . . 25.0 109.583 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.44 5.59 27.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.231 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.57 121.05 24.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.38 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -92.72 -30.1 15.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.537 . . . . 25.0 110.584 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -74.4 99.37 3.5 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.281 0.562 . . . . 25.0 112.074 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.94 -34.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.558 -0.746 . . . . 25.0 112.339 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.64 -37.79 76.9 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.22 -0.992 . . . . 25.0 109.703 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.35 61.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.56 -36.14 76.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.812 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.65 -45.29 79.49 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.575 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -77.18 -31.55 55.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -82.63 -39.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.731 -0.213 . . . . 25.0 111.329 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -66.32 -41.32 89.82 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 118.807 -1.157 . . . . 25.0 108.717 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.46 62.49 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.03 -52.05 12.03 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 105.954 -1.869 . . . . 25.0 105.954 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -34.74 78.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.21 -0.904 . . . . 25.0 111.376 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -88.18 -30.53 19.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.72 0.771 . . . . 25.0 112.203 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -103.03 8.21 38.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 25.0 112.712 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.15 64.97 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 114.597 0.599 . . . . 25.0 114.597 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -84.06 5.35 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.989 0.395 . . . . 25.0 111.858 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.94 -159.6 34.68 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.38 147.48 51.79 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 -173.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.11 175.78 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -126.66 -174.12 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.76 -42.41 83.96 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.41 -27.21 66.0 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.788 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -68.08 -42.14 80.82 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.809 -0.756 . . . . 25.0 109.191 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.754 HG12 HG13 ' A' ' 75' ' ' VAL . 67.4 t -61.63 -35.11 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.109 177.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.93 -39.54 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.537 -0.727 . . . . 25.0 109.338 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.45 -36.06 82.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.755 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.64 -31.88 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 119.325 -0.95 . . . . 25.0 108.872 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.12 -20.75 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.819 -0.551 . . . . 25.0 112.338 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.58 72.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.18 -35.66 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -66.72 -46.78 74.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.49 -35.02 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.055 -0.658 . . . . 25.0 109.652 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.3 -26.28 55.68 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.909 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 t -86.45 -44.13 12.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -116.91 -34.81 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -77.88 -15.89 58.68 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.245 -0.407 . . . . 25.0 111.113 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -46.16 -15.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 117.056 2.243 . . . . 25.0 117.056 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 . . . . . 0 C--N 1.32 -0.715 0 C-N-CA 123.777 0.831 . . . . 25.0 111.131 174.252 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -28.87 70.28 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.305 174.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -27.3 69.19 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.43 -34.3 58.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 121.535 0.684 . . . . 25.0 112.016 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -22.48 62.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.567 0.699 . . . . 25.0 109.361 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.18 -59.06 4.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.979 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.1 -27.28 65.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.59 -32.89 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.418 0.627 . . . . 25.0 110.933 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.8 p -75.54 -36.95 60.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.01 0.433 . . . . 25.0 111.37 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -38.44 90.57 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.519 -1.289 . . . . 25.0 107.519 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.53 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.21 -47.44 72.11 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 119.754 -0.165 . . . . 25.0 111.285 -178.779 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG13 ' ND2' ' A' ' 13' ' ' ASN . 34.3 m -83.64 -31.24 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.383 0.611 . . . . 25.0 112.392 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.87 -56.73 11.65 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.641 1.21 . . . . 25.0 110.927 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.31 -18.04 61.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.874 -1.512 . . . . 25.0 111.117 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.07 91.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.071 -0.651 . . . . 25.0 109.671 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -95.11 -4.5 46.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -61.95 154.88 25.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.23 -2.76 43.68 Favored Glycine 0 C--O 1.222 -0.615 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.186 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -66.16 -33.65 76.26 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.318 0.58 . . . . 25.0 109.788 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -77.25 -29.47 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.722 -1.126 . . . . 25.0 110.991 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -30.83 4.1 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.149 -0.78 . . . . 25.0 111.149 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.43 166.34 11.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.242 0.544 . . . . 25.0 109.8 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -84.23 -35.25 23.58 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 123.54 0.736 . . . . 25.0 111.98 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.85 5.02 52.31 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.551 1.167 . . . . 25.0 109.357 -169.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -128.57 152.51 48.23 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 113.372 -1.74 . . . . 25.0 106.774 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.9 mt -153.64 159.23 42.02 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 105.666 -1.976 . . . . 25.0 105.666 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.3 p -82.35 151.28 26.76 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.085 -0.646 . . . . 25.0 109.414 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -57.65 -40.92 80.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.64 0.257 . . . . 25.0 110.857 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -57.84 -37.1 73.27 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -67.42 -41.34 84.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.475 0.655 . . . . 25.0 109.896 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.79 -38.27 90.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.774 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.21 -41.0 87.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.009 0.433 . . . . 25.0 111.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.79 -37.73 24.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.964 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.0 -31.42 70.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.781 -0.768 . . . . 25.0 109.484 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.71 -47.34 84.04 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.909 -0.494 . . . . 25.0 109.883 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -75.87 -22.41 56.21 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.56 -175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -28.78 31.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.06 -40.47 9.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.173 0.511 . . . . 25.0 112.212 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -86.88 -62.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.177 -176.709 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 49.28 23.09 0.76 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.698 1.74 . . . . 25.0 115.698 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.54 -57.2 0.11 Allowed Glycine 0 C--O 1.226 -0.373 0 CA-C-O 122.009 0.783 . . . . 25.0 112.829 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.401 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -71.23 -18.56 62.45 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -173.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.84 -25.79 68.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.455 176.637 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -99.02 -21.42 16.23 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.372 1.082 . . . . 25.0 109.143 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.83 -12.65 61.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.014 -0.994 . . . . 25.0 110.994 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.06 142.18 58.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 25.0 110.906 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -125.48 -25.92 3.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.751 0.42 . . . . 25.0 111.653 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -73.13 97.2 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.913 0.387 . . . . 25.0 111.295 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.89 -34.02 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 122.979 0.511 . . . . 25.0 111.667 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.06 -41.6 81.75 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.063 -1.055 . . . . 25.0 109.799 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.72 68.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.692 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.79 -33.44 61.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.287 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.15 -39.27 68.89 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -37.38 70.84 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.73 -42.11 20.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.025 -0.534 . . . . 25.0 111.11 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.46 -37.18 86.1 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.345 -0.942 . . . . 25.0 109.575 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -25.08 60.46 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 120.373 -0.531 . . . . 25.0 112.152 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -73.58 -48.16 34.91 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -31.57 72.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.329 -0.85 . . . . 25.0 110.958 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -35.68 81.89 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.444 -0.785 . . . . 25.0 112.101 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.34 -29.76 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.565 0.698 . . . . 25.0 112.102 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.63 3.06 26.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.672 0.989 . . . . 25.0 113.672 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -28.72 67.43 Favored Glycine 0 CA--C 1.505 -0.578 0 CA-C-N 116.217 -0.447 . . . . 25.0 113.402 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -1.76 44.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.28 34.25 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 109.156 -1.578 . . . . 25.0 109.156 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.47 145.71 45.06 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.144 -1.528 . . . . 25.0 112.926 -170.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.1 -178.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.726 -1.125 . . . . 25.0 110.003 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.75 -174.26 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.428 0.291 . . . . 25.0 110.881 -173.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.0 tt0 -66.27 -40.58 90.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.238 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -66.69 -42.9 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.716 -0.615 . . . . 25.0 110.308 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG13 HG12 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -63.97 -29.1 46.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 122.026 -0.421 . . . . 25.0 111.569 -179.46 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.04 -41.51 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.27 -34.91 78.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.994 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.84 -34.26 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 119.425 -0.91 . . . . 25.0 109.579 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.8 -20.73 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.799 -0.563 . . . . 25.0 111.832 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.44 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.357 0.599 . . . . 25.0 109.518 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.99 -37.72 72.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -44.46 78.19 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.87 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.23 -32.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.659 -0.817 . . . . 25.0 110.654 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.52 59.91 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 121.939 -0.476 . . . . 25.0 110.263 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -83.89 -53.39 5.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.04 0.756 . . . . 25.0 113.04 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -101.55 -43.75 5.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.277 1.214 . . . . 25.0 114.277 -170.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -20.96 64.02 Favored 'General case' 0 C--O 1.208 -1.079 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -41.68 -24.21 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 117.593 2.442 . . . . 25.0 117.593 175.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 66.3 m-85 . . . . . 0 C--N 1.313 -0.986 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.732 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.036 0.446 . . . . 25.0 110.138 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.431 -0.793 . . . . 25.0 108.957 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -27.89 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.029 -0.532 . . . . 25.0 112.42 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.04 -29.7 31.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.228 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.4 m -67.23 -22.22 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.588 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.83 -55.85 27.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.892 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.6 ptp -62.36 -25.25 67.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.38 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.61 0.719 . . . . 25.0 110.658 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 40.4 p -74.98 -38.46 61.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.888 -0.508 . . . . 25.0 111.204 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -36.92 84.2 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.12 -40.75 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -45.48 73.92 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.044 0.215 . . . . 25.0 111.381 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.58 -31.24 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.48 -56.11 10.87 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 122.275 1.036 . . . . 25.0 111.876 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -69.52 -18.95 63.72 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.133 -1.394 . . . . 25.0 110.41 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.28 86.06 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.349 -0.54 . . . . 25.0 110.134 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -103.71 2.5 33.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 97.5 p -64.64 155.9 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.539 0.685 . . . . 25.0 112.491 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.05 66.15 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.526 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -60.95 -29.73 69.81 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.788 -0.242 . . . . 25.0 110.726 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -112.2 41.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.898 2.285 . . . . 25.0 115.137 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.85 -30.72 6.75 Favored Glycine 0 C--N 1.289 -2.044 0 CA-C-N 112.558 -2.11 . . . . 25.0 116.317 167.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.51 153.86 48.39 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -18.87 62.38 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 115.292 1.59 . . . . 25.0 115.292 -174.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 18.8 m-85 -112.74 9.04 19.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.495 0.664 . . . . 25.0 110.28 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -123.13 152.89 40.68 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -157.54 148.1 21.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.859 -1.904 . . . . 25.0 105.859 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -81.15 153.51 27.21 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.339 0.59 . . . . 25.0 111.694 -176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.52 -39.34 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -55.98 -41.76 75.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.85 -39.83 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.364 0.602 . . . . 25.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.54 -38.04 88.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.138 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -62.19 -38.53 89.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.263 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.26 -39.21 49.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.718 -0.393 . . . . 25.0 112.055 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.29 -30.11 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.475 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.95 -43.01 97.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.825 -0.547 . . . . 25.0 110.452 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -78.41 -22.47 47.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.891 -0.506 . . . . 25.0 110.885 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -28.32 29.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -99.28 -45.27 5.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -61.19 1.72 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.253 -175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.25 30.71 2.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.27 -47.58 0.08 OUTLIER Glycine 0 C--O 1.217 -0.958 0 CA-C-O 122.435 1.019 . . . . 25.0 113.718 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.34 -18.43 61.18 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 120.628 -1.513 . . . . 25.0 113.333 -176.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.478 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.72 -24.19 67.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.072 176.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.14 -13.36 14.38 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 122.147 0.975 . . . . 25.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.89 -9.7 58.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.394 177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.69 142.44 58.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.91 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -122.9 -25.86 4.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.576 0.35 . . . . 25.0 111.059 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -72.3 106.29 4.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 25.0 111.502 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.11 -33.94 67.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.966 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.78 -37.17 76.27 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.577 -0.849 . . . . 25.0 109.948 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.45 57.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.61 -37.68 80.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.311 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.26 -43.13 78.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.763 -0.585 . . . . 25.0 112.149 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.68 -35.18 58.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.771 0.285 . . . . 25.0 111.771 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.13 -36.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 38.6 mmt -69.25 -36.14 76.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.443 -1.303 . . . . 25.0 109.334 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -71.2 -29.46 65.18 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.392 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -46.03 67.2 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 -175.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -28.77 70.21 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.589 -0.732 . . . . 25.0 111.132 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.86 -38.77 76.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.225 0.536 . . . . 25.0 111.586 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.43 -36.41 45.6 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.205 1.002 . . . . 25.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -105.06 5.43 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.998 -1.456 . . . . 25.0 113.942 -168.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.02 -34.1 71.36 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.219 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.64 4.27 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.16 -160.9 36.97 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 108.037 -2.025 . . . . 25.0 108.037 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 147.46 38.24 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.288 0.566 . . . . 25.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.65 -178.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.771 -1.104 . . . . 25.0 108.564 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.49 -174.03 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 25.0 110.705 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.32 -41.4 79.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.7 -39.83 94.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.28 -31.54 71.06 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.685 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -68.29 -40.76 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.722 0.773 . . . . 25.0 108.929 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.491 HG12 HG13 ' A' ' 75' ' ' VAL . 16.1 t -59.87 -37.47 72.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.376 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.52 -38.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.33 -36.56 84.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.04 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.3 -32.43 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 119.37 -0.932 . . . . 25.0 109.128 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.73 -20.68 60.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.84 74.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.82 -36.87 70.35 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -45.38 75.28 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.81 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.5 m -69.22 -32.34 53.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.88 -0.728 . . . . 25.0 110.527 -177.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.84 66.38 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.9 t -83.33 -51.54 7.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -107.83 -32.83 7.45 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.721 1.749 . . . . 25.0 115.721 -168.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.401 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -77.0 -16.0 59.46 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 121.683 -0.636 . . . . 25.0 109.424 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -40.72 -20.72 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 117.323 2.342 . . . . 25.0 117.323 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 . . . . . 0 C--N 1.318 -0.778 0 O-C-N 121.884 -0.51 . . . . 25.0 112.274 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -25.87 20.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.22 71.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.86 -22.52 36.91 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.601 -0.687 . . . . 25.0 112.103 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -22.06 62.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.43 0.633 . . . . 25.0 109.92 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.61 -57.06 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -32.2 65.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -177.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.98 -35.18 72.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 70.1 p -72.93 -38.64 66.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 25.0 110.854 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -38.45 89.28 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 176.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.6 -40.79 85.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -46.54 74.11 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.958 0.161 . . . . 25.0 111.395 -178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.05 -29.65 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.33 -57.41 6.68 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.444 1.116 . . . . 25.0 110.319 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.54 -16.43 62.88 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.865 -1.516 . . . . 25.0 111.634 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.32 89.75 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.448 -0.501 . . . . 25.0 109.809 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -99.8 -6.51 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 56.6 m -63.46 149.8 45.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -173.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.65 -10.31 57.49 Favored Glycine 0 N--CA 1.458 0.149 0 CA-C-N 114.667 -1.151 . . . . 25.0 112.71 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -61.63 -27.08 68.4 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -116.46 42.08 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 125.091 2.377 . . . . 25.0 114.381 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.09 -30.87 6.33 Favored Glycine 0 C--N 1.291 -1.918 0 CA-C-N 112.408 -2.178 . . . . 25.0 117.389 165.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -129.55 158.82 38.2 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -68.05 -29.47 68.44 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 125.498 1.519 . . . . 25.0 113.88 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -109.94 11.21 24.18 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.128 0.966 . . . . 25.0 110.576 -174.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -130.21 155.13 46.78 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 114.009 -1.451 . . . . 25.0 107.831 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.7 mt -153.79 169.26 23.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -97.25 155.36 16.89 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -56.94 -41.03 77.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 25.0 111.254 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -54.08 -40.1 66.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -69.47 -40.01 77.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.432 0.634 . . . . 25.0 110.576 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.6 -36.97 85.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 25.0 110.726 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.98 -37.9 84.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.661 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -80.31 -43.11 21.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.95 -29.85 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.463 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.36 -48.23 76.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -76.44 -22.63 54.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.647 -0.658 . . . . 25.0 111.659 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -28.42 54.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -100.23 -45.39 5.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.553 0.692 . . . . 25.0 112.107 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -60.32 2.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.406 -174.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.04 23.0 0.45 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.34 -57.22 0.11 Allowed Glycine 0 C--O 1.227 -0.301 0 CA-C-O 121.799 0.666 . . . . 25.0 112.736 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -18.96 62.89 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -173.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.27 -25.39 68.3 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.23 -0.895 . . . . 25.0 109.595 176.352 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -101.42 -16.61 16.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.893 1.33 . . . . 25.0 109.181 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.88 -12.67 61.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.558 -1.201 . . . . 25.0 110.486 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.98 124.98 23.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.408 -0.36 . . . . 25.0 111.227 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -113.3 -20.57 11.33 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.606 0.362 . . . . 25.0 111.108 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -76.0 94.9 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.396 0.617 . . . . 25.0 111.276 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' HA ' HG22 ' A' ' 54' ' ' VAL . 59.6 t -62.27 -34.72 65.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.007 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.48 -31.34 71.42 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.188 0.518 . . . . 25.0 110.889 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.66 -53.81 7.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.374 . . . . 25.0 110.021 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 51' ' ' VAL . 30.0 m -63.14 -33.85 63.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 C-N-CA 120.548 -0.461 . . . . 25.0 112.026 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.24 -39.14 92.3 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.739 -0.601 . . . . 25.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -35.38 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.4 -38.08 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.07 -36.02 77.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 118.605 -1.238 . . . . 25.0 109.762 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -70.95 -30.07 66.27 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.226 -0.59 . . . . 25.0 110.28 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.25 -45.7 69.1 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 107.018 -1.475 . . . . 25.0 107.018 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -30.68 71.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.836 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.5 -37.88 77.37 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.067 -0.396 . . . . 25.0 111.711 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.53 -13.49 32.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -117.78 8.55 12.74 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.18 65.03 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.541 -0.299 . . . . 25.0 113.836 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.78 2.64 41.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.09 -171.74 46.77 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 107.061 -2.416 . . . . 25.0 107.061 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.99 148.54 50.09 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -172.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.0 174.93 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.358 -1.292 . . . . 25.0 109.964 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.42 -174.09 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -57.42 -37.19 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -67.86 -38.71 83.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 25.0 110.134 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.54 -30.04 66.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.754 -0.591 . . . . 25.0 110.075 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.78 -44.68 73.14 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.199 -0.938 . . . . 25.0 110.565 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -63.4 -31.54 53.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.848 -0.532 . . . . 25.0 111.774 -177.709 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.87 -27.21 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 121.315 -0.866 . . . . 25.0 109.937 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.02 -28.81 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.024 -0.362 . . . . 25.0 110.024 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -83.62 -32.1 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 118.771 -1.171 . . . . 25.0 109.245 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -20.69 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.136 -0.352 . . . . 25.0 110.896 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.81 76.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.431 0.634 . . . . 25.0 109.74 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -70.76 -38.09 73.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -45.42 77.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 115.562 -0.745 . . . . 25.0 111.524 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.9 m -70.32 -31.11 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.44 -0.904 . . . . 25.0 111.071 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.43 60.81 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.273 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 t -91.32 -48.94 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -108.01 -45.76 3.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -169.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -67.95 -20.42 65.06 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -41.23 -21.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 117.807 2.521 . . . . 25.0 117.807 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 59.9 m-85 . . . . . 0 C--N 1.314 -0.972 0 CA-C-N 115.679 -0.692 . . . . 25.0 111.584 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.11 -28.65 42.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.53 -26.84 45.87 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.501 -0.749 . . . . 25.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -65.84 -22.16 66.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.71 -56.4 19.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -60.47 -25.79 66.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -63.16 -32.97 74.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.712 0.768 . . . . 25.0 110.866 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.6 p -75.28 -39.1 60.03 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.925 -0.485 . . . . 25.0 111.191 -177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.9 -37.09 83.72 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -59.24 -43.04 88.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -44.1 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.516 0.51 . . . . 25.0 111.627 -176.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -86.82 -32.13 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.24 -57.79 6.05 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.712 1.244 . . . . 25.0 110.59 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -72.27 -16.06 61.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.676 -1.602 . . . . 25.0 112.176 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.82 85.21 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 25.0 109.933 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -103.92 -2.3 26.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.74 154.01 40.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 -8.33 34.65 Favored Glycine 0 C--O 1.223 -0.562 0 CA-C-N 115.049 -0.978 . . . . 25.0 112.754 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.81 -18.21 62.1 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -28.51 32.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.827 0.822 . . . . 25.0 108.878 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.62 -30.81 3.91 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.797 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.77 155.04 20.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.394 1.097 . . . . 25.0 111.136 170.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -12.49 59.46 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -172.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 19.6 m-85 -110.36 14.74 22.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.926 0.869 . . . . 25.0 109.291 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.48 158.32 44.66 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.683 -1.144 . . . . 25.0 108.568 -172.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -153.29 163.52 39.75 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.4 p -88.58 152.64 21.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.14 -41.99 80.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 25.0 111.474 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -58.06 -34.67 70.37 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -67.3 -38.48 85.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.561 0.696 . . . . 25.0 110.636 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.87 -36.47 84.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.395 -0.821 . . . . 25.0 110.097 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 ttpp -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.889 -0.141 . . . . 25.0 110.783 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.03 -44.33 31.21 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.389 -0.525 . . . . 25.0 112.226 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.71 -31.71 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.011 -0.676 . . . . 25.0 110.394 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.65 96.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.091 -0.38 . . . . 25.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -79.25 -22.48 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.732 . . . . 25.0 111.049 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -32.74 37.36 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.281 0.363 . . . . 25.0 111.452 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.79 -44.24 8.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.963 0.887 . . . . 25.0 113.367 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.56 -65.52 1.0 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.804 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.3 37.18 1.84 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -177.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.47 -45.3 0.06 OUTLIER Glycine 0 C--O 1.225 -0.426 0 N-CA-C 111.743 -0.543 . . . . 25.0 111.743 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -71.58 -15.97 62.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.921 -0.752 . . . . 25.0 112.982 -177.035 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -21.46 64.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.23 -0.895 . . . . 25.0 110.436 175.035 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.21 -31.05 10.3 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.667 1.222 . . . . 25.0 109.998 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -68.7 -28.17 66.61 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.999 -1.0 . . . . 25.0 113.353 -177.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.68 138.35 58.34 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.15 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -119.61 -31.5 4.55 Favored 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 123.328 0.651 . . . . 25.0 112.388 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -75.64 92.48 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.071 0.463 . . . . 25.0 110.12 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.88 -33.94 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.68 -38.54 80.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.619 -0.833 . . . . 25.0 110.637 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.56 44.19 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.93 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.755 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.71 -43.73 88.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.458 . . . . 25.0 110.429 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -71.79 -30.06 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.051 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.12 -41.9 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 110.171 -0.307 . . . . 25.0 110.171 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -64.72 -39.31 93.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.347 -0.846 . . . . 25.0 110.796 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -26.65 61.4 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 119.756 -0.778 . . . . 25.0 111.299 177.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -46.85 72.5 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -26.0 68.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.811 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.98 -39.79 69.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.53 0.681 . . . . 25.0 111.238 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -79.87 -34.93 38.79 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.326 1.06 . . . . 25.0 110.955 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -105.91 6.21 31.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.061 -1.427 . . . . 25.0 113.391 -169.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.23 -32.5 63.61 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 114.24 0.456 . . . . 25.0 114.24 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -82.51 1.03 39.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.94 -162.76 37.97 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 108.7 -1.76 . . . . 25.0 108.7 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.68 149.94 51.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.95 174.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.506 -1.225 . . . . 25.0 109.486 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -128.93 -173.96 3.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.848 -0.797 . . . . 25.0 108.848 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.65 -40.54 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.44 ' HB2' HG11 ' A' ' 83' ' ' VAL . 31.5 tt0 -61.98 -42.83 99.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.469 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.09 -30.4 70.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.749 -0.381 . . . . 25.0 110.746 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -67.31 -41.52 85.21 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.034 -0.666 . . . . 25.0 109.472 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.88 -37.48 76.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.663 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.7 -38.15 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.83 -37.38 87.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.987 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -75.84 -29.27 19.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 119.593 -0.843 . . . . 25.0 109.462 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.51 -20.68 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.049 -0.407 . . . . 25.0 111.882 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.22 70.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.57 -34.34 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -66.36 -45.84 78.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.818 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.5 -33.55 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.27 -0.572 . . . . 25.0 109.64 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.09 -29.59 68.57 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.313 -0.242 . . . . 25.0 110.399 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.22 -51.02 7.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -103.81 -34.71 8.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.959 1.466 . . . . 25.0 114.959 -169.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -16.84 60.74 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -40.84 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.978 2.214 . . . . 25.0 116.978 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--N 1.315 -0.904 0 N-CA-C 112.805 0.669 . . . . 25.0 112.805 176.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.011 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -100.88 149.46 23.85 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.78 -24.28 67.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.098 0.475 . . . . 25.0 110.363 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -28.93 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.543 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.06 -30.2 31.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.98 66.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.155 0.978 . . . . 25.0 108.887 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.1 -56.19 22.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.293 -177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.401 ' H ' ' HG2' ' A' ' 8' ' ' MET . 13.4 ptp -60.65 -26.77 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.32 -34.11 76.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.194 0.521 . . . . 25.0 110.647 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 38.0 p -72.74 -38.0 67.55 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.296 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -38.05 88.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.51 -40.14 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.58 -47.51 73.23 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 122.873 0.108 . . . . 25.0 111.09 -178.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' ND2' ' A' ' 13' ' ' ASN . 35.5 m -83.89 -31.6 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.186 0.517 . . . . 25.0 111.795 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.85 -59.54 3.44 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.347 1.07 . . . . 25.0 110.218 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.31 -18.43 64.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.872 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.65 76.95 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -98.37 -12.42 21.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.463 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -64.99 155.78 33.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.704 1.742 . . . . 25.0 115.704 -171.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.35 40.39 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 114.564 -1.198 . . . . 25.0 112.283 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.95 -30.89 71.92 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.73 41.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.523 2.106 . . . . 25.0 115.379 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 -30.84 4.77 Favored Glycine 0 C--N 1.292 -1.894 0 CA-C-N 112.98 -1.918 . . . . 25.0 116.194 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.34 158.79 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.297 0.57 . . . . 25.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -71.33 -20.39 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -104.05 8.56 36.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.104 0.478 . . . . 25.0 111.671 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -128.15 147.25 50.55 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.07 0.938 . . . . 25.0 110.501 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.2 mt -155.06 157.18 37.16 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.22 157.08 20.71 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.167 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -55.95 -41.71 75.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.267 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -54.77 -38.64 67.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.919 1.081 . . . . 25.0 113.919 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -66.49 -40.3 89.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.354 0.597 . . . . 25.0 109.744 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.84 -38.22 85.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.594 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.03 -33.66 76.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -77.15 -48.01 18.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.826 0.346 . . . . 25.0 110.438 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.13 -35.0 78.8 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.054 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.21 -44.77 96.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.543 -0.723 . . . . 25.0 110.846 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -76.97 -22.53 53.06 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.823 -0.751 . . . . 25.0 110.991 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -29.95 21.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.46 -36.73 13.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.178 -0.326 . . . . 25.0 110.773 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 -62.39 1.47 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m 45.41 34.82 1.67 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.77 -50.78 0.06 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-O 122.279 0.933 . . . . 25.0 113.074 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -13.01 61.37 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -26.01 68.38 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 176.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.29 -25.42 22.81 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.009 1.385 . . . . 25.0 109.434 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.28 -13.57 60.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.072 -1.422 . . . . 25.0 112.439 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.34 121.84 19.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -109.89 -20.37 12.78 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.238 -0.289 . . . . 25.0 111.704 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -81.5 94.71 6.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.182 0.515 . . . . 25.0 112.212 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.0 -36.28 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.494 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.08 -33.09 73.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 25.0 110.937 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -53.27 9.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.223 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.84 -35.42 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.456 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.8 -44.77 96.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -72.67 -35.83 67.8 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 -175.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.57 -39.91 18.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.831 -0.622 . . . . 25.0 110.627 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmt -66.8 -36.45 82.42 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.042 -1.036 . . . . 25.0 110.86 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 7.4 pttt -77.55 -25.9 50.5 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.987 -0.685 . . . . 25.0 111.279 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.42 -48.47 72.68 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -29.43 70.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 25.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.99 -38.83 83.13 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.378 -0.826 . . . . 25.0 111.159 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.03 -26.82 23.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.111 0.481 . . . . 25.0 111.561 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -106.06 8.16 32.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.074 0.464 . . . . 25.0 112.246 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.43 -29.69 63.85 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.342 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.99 2.8 37.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.79 -176.72 38.27 Favored Glycine 0 N--CA 1.434 -1.5 0 N-CA-C 107.168 -2.373 . . . . 25.0 107.168 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -120.84 145.75 47.28 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 113.565 -1.317 . . . . 25.0 113.736 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.7 178.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.814 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -132.85 -174.09 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.574 0.349 . . . . 25.0 110.395 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -58.53 -40.85 84.1 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -63.67 -38.87 92.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.05 -29.68 66.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.462 . . . . 25.0 110.911 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.38 -42.19 83.78 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.292 -0.88 . . . . 25.0 109.135 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG13 ' B' ' 75' ' ' VAL . 55.3 t -59.34 -40.64 81.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.837 -0.619 . . . . 25.0 112.034 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.14 -26.48 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 120.879 -1.138 . . . . 25.0 110.291 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.02 -27.8 64.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 25.0 110.258 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -84.16 -29.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 118.654 -1.219 . . . . 25.0 108.748 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.65 -20.72 62.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.885 -0.509 . . . . 25.0 111.654 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.47 70.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.332 0.587 . . . . 25.0 109.63 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.14 -37.25 66.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.93 77.13 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.952 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.48 -33.89 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.747 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -23.42 65.48 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.599 -0.688 . . . . 25.0 110.365 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -92.48 -46.17 7.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.95 -34.09 9.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.9 -16.3 60.06 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.829 -0.544 . . . . 25.0 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -41.08 -17.29 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.824 2.157 . . . . 25.0 116.824 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.32 10.87 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.249 -0.907 . . . . 25.0 111.991 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -16.86 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.277 0.56 . . . . 25.0 110.12 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -132.28 175.71 9.04 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.217 -0.901 . . . . 25.0 109.389 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -61.18 123.37 17.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.906 0.86 . . . . 25.0 109.248 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 114.636 -1.165 . . . . 25.0 113.383 -172.778 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.367 0 N-CA-C 112.602 -0.199 . . . . 25.0 112.602 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -84.47 156.38 21.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.119 0.485 . . . . 25.0 110.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -74.17 -34.35 63.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 25.0 109.851 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -29.85 70.39 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.99 -27.81 49.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.444 -0.785 . . . . 25.0 111.464 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -65.77 -22.26 66.57 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.76 -56.1 22.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.28 -26.0 67.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.48 -34.08 76.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 25.0 110.687 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.23 -38.52 63.5 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.146 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.74 -38.54 91.34 Favored 'General case' 0 C--O 1.205 -1.252 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.59 -39.47 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.01 82.59 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.28 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.35 -28.47 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.31 -61.61 1.77 Allowed 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 122.048 0.928 . . . . 25.0 109.801 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -14.72 63.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.852 -1.522 . . . . 25.0 111.907 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.26 80.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.319 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -112.9 5.76 17.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -66.73 155.41 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.02 50.89 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.195 -0.911 . . . . 25.0 112.847 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -67.05 -19.44 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.742 0.306 . . . . 25.0 111.504 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.61 -27.27 29.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 25.0 110.825 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.76 -30.9 4.08 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 110.198 -1.161 . . . . 25.0 110.198 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -117.56 150.95 38.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -93.08 -16.09 25.36 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.34 7.03 17.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.379 1.085 . . . . 25.0 110.675 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -140.44 166.1 25.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.192 -1.822 . . . . 25.0 107.768 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.1 mt -159.76 150.41 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 170.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -72.25 150.55 43.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -56.64 -42.24 78.52 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.597 0.221 . . . . 25.0 111.597 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -58.63 -37.0 74.96 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.31 -37.53 87.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.827 0.822 . . . . 25.0 110.255 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.12 -36.87 84.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.599 -0.728 . . . . 25.0 110.101 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -64.73 -32.58 74.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -79.01 -46.02 19.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.95 -30.58 67.99 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.486 -0.759 . . . . 25.0 111.416 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.75 -0.594 . . . . 25.0 110.459 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.11 -22.45 39.12 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.356 -174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.0 -33.93 61.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.65 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -97.67 -45.17 6.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -63.53 1.35 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.603 -172.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p 42.92 34.96 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.44 -48.99 0.07 OUTLIER Glycine 0 C--O 1.221 -0.707 0 CA-C-O 121.398 0.443 . . . . 25.0 112.777 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -13.71 61.55 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.6 -22.04 66.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.311 -0.859 . . . . 25.0 109.4 175.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -99.81 -5.54 28.4 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.884 1.326 . . . . 25.0 109.106 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.25 -5.81 39.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.604 -1.18 . . . . 25.0 111.059 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -72.79 125.18 26.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -112.57 -24.88 9.43 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.395 -0.19 . . . . 25.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.56 90.07 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.78 -33.68 65.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.557 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.44 -39.01 85.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.447 -0.783 . . . . 25.0 110.648 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -56.11 20.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.51 -30.36 48.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.03 -43.31 92.82 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.496 0.665 . . . . 25.0 109.646 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -73.39 -28.43 62.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.262 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -79.76 -40.33 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 122.504 0.322 . . . . 25.0 110.69 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.0 mtp -63.2 -44.55 95.03 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 121.314 -0.866 . . . . 25.0 109.922 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -68.96 -30.1 68.47 Favored 'General case' 0 C--O 1.205 -1.263 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.849 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.95 -48.09 75.3 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -31.38 72.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.343 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.26 -33.22 71.34 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.766 -0.584 . . . . 25.0 112.089 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.25 -33.36 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.89 0.852 . . . . 25.0 111.26 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -104.88 6.3 33.64 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.808 -170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -32.54 65.94 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 114.564 0.585 . . . . 25.0 114.564 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -82.07 1.33 36.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.945 0.35 . . . . 25.0 111.945 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.4 -163.79 39.63 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 109.026 -1.63 . . . . 25.0 109.026 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -129.91 146.88 51.62 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.458 -0.871 . . . . 25.0 112.937 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -147.32 177.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.3 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -130.69 -174.17 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -57.02 -39.71 75.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.427 ' O ' HG12 ' B' ' 75' ' ' VAL . 30.1 tt0 -64.54 -42.11 95.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.41 -33.24 72.7 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.493 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.11 -42.49 93.92 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.66 -0.65 . . . . 25.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -65.81 -28.22 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 O-C-N 121.815 -0.553 . . . . 25.0 111.397 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.41 -37.06 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.98 -35.29 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.6 -0.273 . . . . 25.0 111.229 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.43 -32.06 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.173 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.09 -20.65 63.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.954 -0.466 . . . . 25.0 111.694 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.32 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.32 -33.85 61.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -44.49 79.74 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.04 -33.53 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.395 -0.922 . . . . 25.0 109.84 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.53 64.64 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.891 -0.505 . . . . 25.0 110.846 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.29 -47.17 8.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.855 1.058 . . . . 25.0 113.855 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -103.35 -47.72 4.21 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -19.75 62.0 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 122.641 0.376 . . . . 25.0 110.879 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -41.03 -24.86 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 117.042 2.238 . . . . 25.0 117.042 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.13 10.93 1.67 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -15.7 58.25 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.26 0.552 . . . . 25.0 110.732 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -126.79 165.62 18.96 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.805 -1.924 . . . . 25.0 105.805 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.71 126.59 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.424 0.63 . . . . 25.0 109.995 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.245 0.864 0 N-CA-C 107.061 -1.459 . . . . 25.0 107.061 -179.648 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 111.464 -0.655 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 p -71.84 166.33 22.28 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.44 -38.38 65.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.47 -28.97 70.33 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.603 1.335 . . . . 25.0 114.603 -174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.91 -25.97 56.52 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.836 -0.54 . . . . 25.0 111.307 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -75.3 -22.45 57.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.57 -55.94 24.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -59.15 -25.78 64.19 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -33.46 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.397 0.618 . . . . 25.0 110.762 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.7 p -74.91 -38.4 61.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.136 0.493 . . . . 25.0 111.02 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -37.15 85.99 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.95 -41.81 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -46.38 74.27 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.121 0.263 . . . . 25.0 111.217 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.37 -31.93 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -68.02 -57.37 6.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.19 0.995 . . . . 25.0 110.75 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -71.28 -14.73 62.32 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.236 -1.347 . . . . 25.0 111.415 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.57 81.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -99.06 -14.55 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.612 ' HA ' HD13 ' A' ' 28' ' ' LEU . 74.5 m -62.3 162.97 9.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.66 -10.53 53.1 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 121.086 -0.578 . . . . 25.0 112.234 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -64.32 -34.14 77.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.272 0.558 . . . . 25.0 111.054 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -73.27 -25.72 60.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.631 -1.168 . . . . 25.0 112.393 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.59 -28.05 4.81 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.678 -0.969 . . . . 25.0 110.678 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -119.58 157.18 28.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -8.44 49.66 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 115.405 1.631 . . . . 25.0 115.405 -173.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' B' ' 89' ' ' PHE . 29.8 m-85 -91.46 -9.5 44.32 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.388 1.089 . . . . 25.0 108.53 172.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -112.65 152.88 28.45 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.387 -1.733 . . . . 25.0 110.1 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 19' ' ' SER . 6.4 tp -147.61 169.28 19.96 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 76.2 p -95.36 157.33 15.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 118.723 0.692 . . . . 25.0 109.563 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.75 -46.4 90.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.249 -0.282 . . . . 25.0 111.322 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -54.89 -39.95 69.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.185 1.18 . . . . 25.0 114.185 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 28' ' ' LEU . 8.7 tp10 -62.3 -36.95 83.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 25.0 111.126 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 69' ' ' VAL . 68.1 mt -63.32 -37.13 86.06 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.527 -0.469 . . . . 25.0 110.695 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -67.23 -29.9 69.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 25.0 110.123 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.84 -45.7 16.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.672 -0.24 . . . . 25.0 111.372 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -29.63 67.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.76 -0.587 . . . . 25.0 110.735 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.76 -43.47 96.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.834 -0.541 . . . . 25.0 109.967 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -79.66 -22.37 43.6 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.01 -0.676 . . . . 25.0 111.234 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -27.15 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 25.0 111.802 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.66 -45.09 4.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -64.8 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.672 -0.411 . . . . 25.0 111.466 -173.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p 40.25 36.19 0.31 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.11 1.522 . . . . 25.0 115.11 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.34 -50.21 0.07 OUTLIER Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.979 0.766 . . . . 25.0 112.853 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -16.29 62.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.2 -25.28 68.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.177 176.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.99 -23.91 22.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.958 1.361 . . . . 25.0 108.655 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.07 -13.64 59.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.1 -1.409 . . . . 25.0 112.686 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.68 135.09 54.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.676 -0.238 . . . . 25.0 110.675 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -122.02 -27.17 4.63 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.16 91.81 3.75 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -33.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.767 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.37 -39.05 78.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.61 -0.836 . . . . 25.0 110.472 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.79 61.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.666 0.746 . . . . 25.0 109.333 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.65 -34.4 67.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.621 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.01 -45.07 87.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.205 0.526 . . . . 25.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -72.78 -31.23 64.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.587 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -78.8 -42.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.02 0.128 . . . . 25.0 111.326 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.9 mmt -65.51 -39.19 91.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.47 -0.769 . . . . 25.0 111.909 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.72 -31.16 70.9 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 120.497 -0.481 . . . . 25.0 109.829 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.35 -40.98 42.08 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -32.4 73.35 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.963 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -40.29 88.36 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.754 -0.591 . . . . 25.0 112.437 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -32.59 36.93 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.037 0.922 . . . . 25.0 110.286 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 9.77 42.49 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.51 -173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.07 65.98 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 114.421 0.528 . . . . 25.0 114.421 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -82.12 6.24 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.928 0.364 . . . . 25.0 111.283 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.18 -164.67 40.03 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.724 -2.15 . . . . 25.0 107.724 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 3.7 pt-20 -131.64 162.65 29.89 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.129 -0.535 . . . . 25.0 111.686 -170.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 33' ' ' LEU . 26.9 m -143.96 173.85 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.37 -1.286 . . . . 25.0 110.644 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -131.52 -174.1 3.31 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.0 -40.58 81.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.07 -38.21 87.73 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.176 -0.327 . . . . 25.0 110.737 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.17 -36.82 84.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.481 -0.762 . . . . 25.0 110.128 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -69.26 -41.06 77.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.158 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG13 HG13 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -60.34 -33.65 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.831 179.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.56 -40.16 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.64 -34.75 78.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 25.0 112.327 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -75.03 -33.69 29.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.324 -0.95 . . . . 25.0 108.592 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.34 -20.48 62.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.962 -0.461 . . . . 25.0 112.01 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.39 69.94 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.12 -37.3 61.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -46.21 76.6 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.798 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.43 -34.21 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.051 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.9 -27.91 61.28 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 121.041 -0.264 . . . . 25.0 110.359 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.7 -52.06 6.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -106.03 -36.39 6.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.791 1.404 . . . . 25.0 114.791 -167.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -81.89 -16.62 50.03 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.906 -0.496 . . . . 25.0 110.254 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 79.8 t80 -41.07 -20.43 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 118.194 2.665 . . . . 25.0 118.194 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -85.56 10.97 11.64 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 123.246 0.618 . . . . 25.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.538 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.73 -21.36 10.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 176.187 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.95 132.74 47.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.62 93.85 4.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.502 1.144 . . . . 25.0 110.726 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.311 -1.068 0 CA-C-N 113.806 -1.543 . . . . 25.0 112.621 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.56 0 N-CA-C 111.029 -0.828 . . . . 25.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -73.47 151.53 41.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.334 0.588 . . . . 25.0 110.553 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.93 -39.91 94.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.836 -0.54 . . . . 25.0 110.306 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -29.34 69.79 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.18 -25.3 34.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.864 -0.735 . . . . 25.0 111.147 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -70.53 -21.93 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.26 -54.72 36.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.905 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -60.6 -24.9 65.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.9 76.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.239 0.542 . . . . 25.0 110.198 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 37.8 p -73.63 -38.35 65.05 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.927 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -36.73 83.27 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.55 -42.47 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -53.8 -46.12 70.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 123.279 0.362 . . . . 25.0 111.381 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' ND2' ' B' ' 13' ' ' ASN . 34.9 m -85.55 -32.01 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.754 0.65 . . . . 25.0 112.754 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -66.71 -56.77 9.06 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.419 1.104 . . . . 25.0 110.247 -175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.84 -15.65 61.16 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.908 -1.496 . . . . 25.0 112.229 -177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -36.31 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -101.8 -9.3 20.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.543 ' HA ' HD13 ' B' ' 28' ' ' LEU . 57.8 m -61.91 156.91 19.67 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.789 0.662 . . . . 25.0 112.789 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.79 -11.14 49.46 Favored Glycine 0 C--O 1.223 -0.583 0 CA-C-N 115.712 -0.676 . . . . 25.0 113.277 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.76 -34.04 75.13 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.661 0.743 . . . . 25.0 110.754 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.58 -26.74 58.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.327 -1.306 . . . . 25.0 111.932 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.68 -30.66 4.15 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.453 -1.059 . . . . 25.0 110.453 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -113.52 154.06 27.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.64 0.733 . . . . 25.0 110.978 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -16.21 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -172.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -102.34 7.2 40.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.83 0.824 . . . . 25.0 109.719 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -131.15 157.73 42.39 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.021 -1.445 . . . . 25.0 108.789 -174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -156.65 144.71 19.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 177.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.62 151.9 43.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.944 0.402 . . . . 25.0 110.837 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -55.03 -46.36 75.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.117 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -57.99 -36.65 72.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.456 ' HG2' HD11 ' B' ' 28' ' ' LEU . 27.2 tp10 -67.44 -38.95 85.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.541 0.686 . . . . 25.0 109.861 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.4 -37.75 87.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.691 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.41 -35.3 79.96 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -74.78 -49.65 20.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.57 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.68 -30.39 70.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.675 -0.641 . . . . 25.0 110.974 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.11 -42.48 96.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.042 -0.411 . . . . 25.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.94 -22.47 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.755 -0.778 . . . . 25.0 109.981 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -36.08 60.5 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.658 0.599 . . . . 25.0 111.3 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -93.21 -45.29 7.93 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -60.47 2.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.432 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m 44.9 35.04 1.36 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.49 -44.39 0.07 OUTLIER Glycine 0 C--O 1.224 -0.507 0 CA-C-O 121.689 0.605 . . . . 25.0 112.75 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.494 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -76.23 -9.1 58.37 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.589 -0.948 . . . . 25.0 112.989 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.504 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.31 -22.48 66.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.006 173.566 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -100.97 -36.97 8.83 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 122.888 1.328 . . . . 25.0 109.462 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -70.04 -16.57 63.17 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 114.632 -1.167 . . . . 25.0 111.174 -171.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -67.85 135.71 52.96 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 125.879 1.671 . . . . 25.0 108.871 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -120.42 -26.42 5.4 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -77.39 91.71 3.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -33.62 61.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.68 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.97 -40.72 78.69 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.716 -0.794 . . . . 25.0 110.547 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.68 49.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.565 0.698 . . . . 25.0 109.585 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.21 -33.98 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.74 -0.664 . . . . 25.0 111.564 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.78 -49.9 74.49 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.33 -32.42 66.51 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.92 -40.43 26.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.516 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.2 mmt -68.38 -34.59 76.33 Favored 'General case' 0 CA--C 1.509 -0.601 0 O-C-N 121.018 -1.051 . . . . 25.0 111.75 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -77.05 -27.23 54.31 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.548 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.87 -47.36 78.17 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 105.091 -2.189 . . . . 25.0 105.091 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -29.21 70.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.257 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -39.66 78.34 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.561 -0.712 . . . . 25.0 110.957 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -85.81 -27.6 25.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.349 0.595 . . . . 25.0 111.261 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.05 7.65 34.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.591 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.3 -32.63 60.63 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 115.019 0.767 . . . . 25.0 115.019 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -79.58 -1.49 38.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.032 0.416 . . . . 25.0 111.665 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.72 37.06 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 109.744 -1.342 . . . . 25.0 109.744 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.35 147.69 52.4 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -148.76 175.25 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.629 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.47 -174.16 3.15 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.24 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.76 -40.03 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.493 ' O ' HG12 ' B' ' 75' ' ' VAL . 14.9 tt0 -67.77 -40.62 83.99 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.004 -0.435 . . . . 25.0 109.995 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.41 -32.77 73.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.582 -0.698 . . . . 25.0 110.134 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.63 -41.42 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.513 -0.742 . . . . 25.0 110.381 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 72' ' ' GLN . 1.3 p -65.95 -26.89 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.774 -0.579 . . . . 25.0 111.061 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.15 -40.7 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.798 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.39 -33.33 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 119.589 -0.844 . . . . 25.0 109.499 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.7 60.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.35 70.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.685 -0.858 . . . . 25.0 108.685 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.64 -35.35 58.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 -46.79 75.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.738 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.63 -33.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.702 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.21 67.83 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 122.055 -0.403 . . . . 25.0 110.256 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.5 t -85.06 -51.65 6.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -100.96 -34.5 9.75 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -168.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -17.53 55.59 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 121.917 -0.489 . . . . 25.0 110.045 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.406 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 83.2 t80 -40.77 -24.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.663 2.468 . . . . 25.0 117.663 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 98.3 m-85 -78.44 10.93 2.73 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.661 0.784 . . . . 25.0 112.342 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.406 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.31 -18.25 57.64 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.358 0.663 . . . . 25.0 110.983 172.091 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.72 159.6 15.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -71.38 122.73 20.87 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.185 -0.606 . . . . 25.0 110.647 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.221 -0.9 . . . . 25.0 108.787 178.075 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.867 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' B' ' 40' ' ' GLU . 80.3 p -105.77 168.68 8.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.238 1.015 . . . . 25.0 111.379 -173.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -30.86 50.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 171.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -28.06 69.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -174.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.99 -27.48 49.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.73 -0.606 . . . . 25.0 111.028 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -70.23 -21.48 63.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.183 0.992 . . . . 25.0 109.291 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.69 -55.36 30.61 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.441 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -60.42 -26.71 66.91 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.59 -32.69 74.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.294 0.569 . . . . 25.0 110.684 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 46.9 p -74.91 -38.47 61.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.137 0.494 . . . . 25.0 111.04 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.78 -38.08 88.05 Favored 'General case' 0 C--O 1.207 -1.135 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -60.56 -41.16 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -46.28 75.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.826 0.079 . . . . 25.0 111.164 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -84.58 -30.42 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.73 -58.06 5.85 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.616 1.198 . . . . 25.0 110.724 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -70.62 -17.56 62.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 25.0 111.545 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.96 79.69 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.364 -0.534 . . . . 25.0 109.655 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -106.36 -3.9 20.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 55.5 m -62.15 156.5 21.55 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.349 1.611 . . . . 25.0 115.349 -172.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.62 50.27 Favored Glycine 0 C--O 1.223 -0.581 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.651 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -70.42 -32.2 69.72 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 122.37 -0.488 . . . . 25.0 111.148 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -26.4 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.8 -30.86 4.08 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-O 118.825 -0.986 . . . . 25.0 115.168 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -96.05 153.91 17.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 119.236 1.518 . . . . 25.0 111.35 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.65 -21.0 61.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.459 -1.246 . . . . 25.0 113.849 -173.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.59 13.96 23.66 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 122.88 0.472 . . . . 25.0 112.072 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -131.55 153.49 49.8 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 121.669 0.747 . . . . 25.0 109.476 -172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.7 mt -152.44 161.39 42.67 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 p -85.08 154.01 22.33 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.28 -42.47 86.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.484 0.183 . . . . 25.0 110.955 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -58.87 -35.48 73.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.11 -41.53 81.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.121 0.486 . . . . 25.0 109.799 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.624 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.13 -39.93 73.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.433 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -47.04 16.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.85 -30.81 71.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.311 -0.556 . . . . 25.0 110.317 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.47 -48.61 76.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 121.961 -0.462 . . . . 25.0 109.906 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.01 -25.0 47.7 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.588 -0.845 . . . . 25.0 111.528 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.74 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.191 -0.204 . . . . 25.0 110.77 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.45 -45.29 6.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 25.0 111.71 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -64.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -172.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m 45.57 33.83 1.5 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.25 -50.96 0.06 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-O 122.008 0.782 . . . . 25.0 113.046 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -11.49 60.27 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.02 -23.69 66.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.068 175.401 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.67 -30.52 16.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.647 1.213 . . . . 25.0 108.579 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.8 -7.99 44.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.144 -1.389 . . . . 25.0 113.646 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' H ' ' HG3' ' A' ' 48' ' ' GLN . 11.5 mt-30 -72.09 120.92 18.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -113.21 -23.29 10.03 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.345 -0.222 . . . . 25.0 111.075 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -81.67 89.64 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.74 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.021 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.94 -33.02 73.87 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.764 -0.774 . . . . 25.0 111.248 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 -56.79 10.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.62 0.724 . . . . 25.0 109.416 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.8 -30.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 113.005 0.742 . . . . 25.0 113.005 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.099 0.476 . . . . 25.0 110.068 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -83.36 -32.15 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.432 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.72 -40.47 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.322 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.19 -36.18 79.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.129 -0.982 . . . . 25.0 110.323 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -27.21 63.11 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 119.798 -0.761 . . . . 25.0 110.697 176.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.79 -47.7 61.91 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.45 72.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.883 -1.053 . . . . 25.0 111.494 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.8 -38.11 82.89 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.92 -0.487 . . . . 25.0 111.99 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -82.08 -32.71 30.18 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.028 0.918 . . . . 25.0 111.041 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -103.8 8.49 37.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.536 -1.211 . . . . 25.0 113.47 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.2 63.0 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 113.995 0.358 . . . . 25.0 113.995 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.34 0.25 42.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.43 -164.74 40.5 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.848 -1.701 . . . . 25.0 108.848 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.67 149.09 51.57 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -172.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -148.36 175.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.732 -1.122 . . . . 25.0 110.533 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.63 -174.06 3.19 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.553 0.341 . . . . 25.0 110.428 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.89 -38.6 76.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.931 0.715 . . . . 25.0 112.931 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -67.06 -39.13 86.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.83 -0.543 . . . . 25.0 110.022 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.72 -31.59 70.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.033 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.46 -44.94 73.77 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.275 -0.891 . . . . 25.0 110.524 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -63.83 -32.38 56.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 122.004 -0.435 . . . . 25.0 111.788 -176.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -79.92 -28.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.494 -0.754 . . . . 25.0 110.01 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -29.32 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -84.76 -33.93 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 118.997 -1.081 . . . . 25.0 109.791 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.37 -20.7 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.757 -0.589 . . . . 25.0 111.64 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.98 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.409 0.624 . . . . 25.0 109.798 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.82 -34.61 60.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -44.28 79.77 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.713 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.36 -32.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 119.527 -0.869 . . . . 25.0 110.563 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.26 -24.34 62.16 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -87.06 -51.56 5.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -103.51 -43.41 5.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.198 1.184 . . . . 25.0 114.198 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -20.73 64.74 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 82.8 t80 -40.96 -25.48 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 117.396 2.369 . . . . 25.0 117.396 176.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -79.12 11.1 2.97 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.232 0.613 . . . . 25.0 112.393 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.62 -22.93 37.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.661 0.784 . . . . 25.0 112.305 174.298 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -77.08 156.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.218 0.533 . . . . 25.0 109.658 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.76 122.48 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.43 -1.259 . . . . 25.0 113.819 -172.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.313 0 N-CA-C 110.822 -0.911 . . . . 25.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -105.74 148.0 27.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.89 -34.48 76.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.812 0.815 . . . . 25.0 109.502 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.88 -30.01 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.21 -24.34 37.5 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.639 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -22.28 65.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.97 -57.41 10.43 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.413 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ptp -60.12 -25.93 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.26 -32.98 74.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.535 0.683 . . . . 25.0 110.778 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.2 p -74.44 -38.22 63.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.435 -0.506 . . . . 25.0 111.122 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.31 86.45 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 175.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.44 -40.97 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -44.84 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -177.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.19 -29.38 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.16 -59.66 3.26 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 122.767 1.27 . . . . 25.0 111.192 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -68.89 -15.8 63.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.472 -1.695 . . . . 25.0 111.056 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.14 71.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.787 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -107.15 -3.58 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 84.6 p -62.11 149.93 39.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -171.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.06 11.27 32.48 Favored Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.07 -0.968 . . . . 25.0 115.342 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.48 -23.64 60.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.225 1.012 . . . . 25.0 108.916 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -104.84 -16.21 14.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.499 -1.682 . . . . 25.0 112.579 -173.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 -7.19 9.17 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 117.922 1.929 . . . . 25.0 117.922 172.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.21 169.8 11.38 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.126 0.963 . . . . 25.0 113.123 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -23.26 27.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -116.75 14.66 15.33 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.508 0.929 . . . . 25.0 113.508 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -124.92 165.49 18.0 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -175.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 1.8 mt -154.87 152.46 29.8 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 83.9 p -78.78 148.19 33.05 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' B' ' 69' ' ' VAL . 30.8 mttm -59.15 -39.08 81.3 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.225 -0.297 . . . . 25.0 111.391 -177.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.85 -39.56 85.59 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.49 -40.28 85.21 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.261 0.553 . . . . 25.0 110.195 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.37 -38.18 90.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.883 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -33.71 76.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.528 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -45.89 18.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.34 -29.34 68.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.751 -0.593 . . . . 25.0 110.094 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.89 -44.75 95.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.53 -23.32 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.716 -0.793 . . . . 25.0 111.002 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -31.9 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.706 0.289 . . . . 25.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 3.4 mm-40 -98.14 -44.93 6.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.87 -65.41 1.01 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.171 -175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m 47.22 32.43 2.09 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.24 -53.75 0.08 OUTLIER Glycine 0 C--O 1.221 -0.685 0 C-N-CA 121.402 -0.427 . . . . 25.0 113.716 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.63 -22.31 63.48 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.476 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.23 -23.03 67.24 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.965 -1.016 . . . . 25.0 110.8 177.429 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.78 7.86 24.36 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.502 1.144 . . . . 25.0 109.303 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.01 12.41 19.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.703 -1.135 . . . . 25.0 110.479 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.21 128.74 33.88 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -109.79 -28.89 8.56 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.58 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -81.17 92.17 6.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.55 -34.14 67.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.966 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.72 -38.98 80.61 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.417 -0.913 . . . . 25.0 110.686 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.06 46.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.771 . . . . 25.0 109.047 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.91 -32.44 54.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 115.723 -0.672 . . . . 25.0 112.35 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.14 -44.33 92.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.226 0.536 . . . . 25.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -72.71 -29.59 63.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.583 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -83.03 -39.89 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.9 mmt -67.57 -39.33 84.9 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.994 -1.066 . . . . 25.0 110.918 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -68.02 -28.66 67.6 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.708 -0.797 . . . . 25.0 109.728 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.3 -45.14 57.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -29.75 70.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.6 -0.727 . . . . 25.0 110.976 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.6 -38.4 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.08 0.467 . . . . 25.0 111.826 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.93 -35.29 38.01 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 122.155 0.978 . . . . 25.0 110.458 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -104.2 3.59 33.02 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 114.778 1.399 . . . . 25.0 114.778 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.23 -31.97 66.79 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.778 -0.249 . . . . 25.0 113.709 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -82.06 -2.28 51.32 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.86 -161.63 37.56 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 109.033 -1.627 . . . . 25.0 109.033 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.12 147.92 49.64 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 113.057 0.762 . . . . 25.0 113.057 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' B' ' 30' ' ' LYS . 7.5 m -144.02 -178.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.565 -1.198 . . . . 25.0 107.781 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -126.56 -174.21 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.162 0.437 . . . . 25.0 111.242 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.88 -41.35 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -61.16 -41.93 97.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -32.28 72.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.197 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.592 0.71 . . . . 25.0 109.549 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.01 -37.28 76.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.383 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.03 -36.86 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.19 -37.27 86.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.68 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.66 -29.27 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 119.584 -0.847 . . . . 25.0 109.0 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.58 60.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.01 70.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.45 -35.65 60.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.435 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -67.08 -46.33 74.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.67 -35.98 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.098 -0.641 . . . . 25.0 109.629 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.8 61.13 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.485 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.71 -45.13 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.067 1.136 . . . . 25.0 114.067 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -109.31 -34.78 6.45 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.51 -16.03 50.21 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 122.216 -0.302 . . . . 25.0 111.581 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 8.6 p90 -40.76 -19.27 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 119.559 3.17 . . . . 25.0 119.559 178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -88.26 10.57 19.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.545 -0.722 . . . . 25.0 110.933 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.449 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -56.56 -8.08 0.5 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 175.21 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.35 164.43 18.55 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.69 130.27 44.24 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.475 -0.89 . . . . 25.0 109.402 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.238 -176.484 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.315 -0.714 . . . . 25.0 111.315 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -73.76 159.33 33.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.47 -31.86 69.17 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.272 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -27.85 69.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.624 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.28 -28.85 42.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 117.897 0.317 . . . . 25.0 111.583 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -22.42 62.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 122.287 1.042 . . . . 25.0 108.552 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.26 -57.91 9.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.1 ptp -57.53 -26.07 60.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.73 -32.28 73.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.636 0.731 . . . . 25.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 34.0 p -76.37 -37.54 57.07 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.986 -0.446 . . . . 25.0 111.051 -178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.35 80.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 175.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.39 -40.5 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -45.7 74.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.555 0.206 . . . . 25.0 111.555 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.32 -30.37 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.96 -55.5 14.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.168 0.985 . . . . 25.0 110.914 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.08 -14.39 61.39 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.146 -1.388 . . . . 25.0 111.557 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.61 75.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.2 -0.666 . . . . 25.0 109.2 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -109.99 -3.18 16.66 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.223 1.194 . . . . 25.0 114.223 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -68.71 161.25 28.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.383 -0.823 . . . . 25.0 110.702 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.1 -15.46 60.45 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.791 -0.719 . . . . 25.0 111.69 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -65.97 -27.94 68.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.656 -0.32 . . . . 25.0 110.217 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -74.32 -29.73 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.59 0.709 . . . . 25.0 110.687 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.55 -30.63 4.19 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.349 -1.1 . . . . 25.0 110.349 -175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.92 156.03 23.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.377 0.608 . . . . 25.0 110.376 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -16.44 52.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -109.76 5.86 23.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.563 0.697 . . . . 25.0 110.403 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.66 152.74 40.2 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.854 -1.066 . . . . 25.0 108.131 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 tp -156.17 148.72 23.74 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -74.33 152.85 39.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.862 0.363 . . . . 25.0 110.529 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -57.11 -44.11 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 25.0 110.474 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -59.36 -39.58 83.7 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.84 -39.0 92.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.208 0.528 . . . . 25.0 109.873 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.28 -38.39 90.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.461 . . . . 25.0 110.432 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -65.92 -35.86 81.78 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.245 -0.28 . . . . 25.0 110.245 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.9 -42.91 47.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.08 -31.31 65.97 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.666 -0.646 . . . . 25.0 111.045 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.22 -44.21 97.07 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.779 -0.575 . . . . 25.0 110.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.28 -22.57 48.06 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.992 -0.683 . . . . 25.0 111.164 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -29.19 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -95.82 -45.4 6.99 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.465 . . . . 25.0 111.743 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m 45.64 33.33 1.4 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.84 -44.65 0.08 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-O 121.584 0.547 . . . . 25.0 112.952 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -75.21 -10.73 59.73 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.414 -1.05 . . . . 25.0 113.412 -177.112 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.17 -22.73 66.37 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.141 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.79 -30.92 10.57 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 124.25 1.976 . . . . 25.0 110.775 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -69.67 -14.4 62.79 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 124.467 2.079 . . . . 25.0 116.312 -174.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.49 146.82 51.61 Favored 'General case' 0 CA--C 1.482 -1.659 0 O-C-N 120.5 -1.375 . . . . 25.0 109.963 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.32 -32.29 2.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 113.416 -1.72 . . . . 25.0 114.286 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.44 93.83 3.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 25.0 110.414 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.52 -34.0 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.529 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.85 -39.37 79.94 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.581 -0.848 . . . . 25.0 110.616 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.19 58.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.513 0.673 . . . . 25.0 109.524 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.51 -33.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.64 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.91 -48.06 75.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.016 0.436 . . . . 25.0 110.277 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -69.16 -30.02 68.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 25.0 111.075 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.46 -44.17 21.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.739 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.194 -0.941 . . . . 25.0 110.868 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.72 -23.01 61.55 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.86 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -47.69 33.98 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -26.95 68.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.858 -1.064 . . . . 25.0 112.111 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -36.98 72.58 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.991 -0.684 . . . . 25.0 111.363 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.17 -28.77 22.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.526 0.679 . . . . 25.0 111.88 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -107.09 8.33 30.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.876 -172.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.99 -31.97 65.86 Favored Glycine 0 C--N 1.318 -0.428 0 N-CA-C 114.279 0.471 . . . . 25.0 114.279 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -87.46 9.74 19.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.86 -176.8 36.67 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 106.916 -2.473 . . . . 25.0 106.916 171.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -119.87 144.62 47.29 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.337 -1.432 . . . . 25.0 112.772 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.26 179.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.156 -0.929 . . . . 25.0 109.5 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.19 -174.11 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.09 -41.65 79.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.459 0.54 . . . . 25.0 112.459 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.06 -41.38 98.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.721 -0.474 . . . . 25.0 109.721 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.63 -31.75 71.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 25.0 111.273 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.93 -41.16 87.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.535 0.683 . . . . 25.0 109.318 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 HG13 ' B' ' 75' ' ' VAL . 41.6 t -59.53 -38.6 76.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.603 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.47 -37.82 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.56 -37.54 87.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.922 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.54 -31.23 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 119.508 -0.877 . . . . 25.0 109.261 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.18 -21.0 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.8 70.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -76.92 -35.24 57.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.881 -0.599 . . . . 25.0 109.695 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -65.8 -47.73 74.11 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.389 -0.369 . . . . 25.0 111.782 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.42 -33.81 64.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.532 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.16 -27.96 64.95 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 116.618 -0.264 . . . . 25.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.7 t -85.36 -51.27 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.503 0.668 . . . . 25.0 112.633 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -101.39 -49.5 4.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -168.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -70.21 -16.22 63.03 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 119.361 -0.352 . . . . 25.0 110.5 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 72.1 t80 -40.53 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 118.443 2.757 . . . . 25.0 118.443 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -87.3 11.05 15.26 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.881 0.872 . . . . 25.0 112.064 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.45 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.53 -6.01 0.26 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.203 1.801 . . . . 25.0 115.526 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.14 108.49 1.27 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.8 121.2 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.259 1.028 . . . . 25.0 112.925 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 113.652 -1.613 . . . . 25.0 111.457 -175.041 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.352 0 N-CA-C 111.168 -0.773 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -105.64 144.38 32.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.74 -29.25 69.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.615 0.721 . . . . 25.0 110.114 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -28.18 68.54 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.77 -28.92 40.31 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.017 -0.673 . . . . 25.0 112.025 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -22.09 64.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.275 1.036 . . . . 25.0 109.449 177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.02 -58.77 6.07 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 114.948 -1.024 . . . . 25.0 112.302 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.7 ptp -57.13 -28.81 63.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.91 -33.98 76.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 25.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -72.79 -37.94 67.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.546 -0.461 . . . . 25.0 111.083 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -37.05 83.39 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.53 -38.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.909 0.336 . . . . 25.0 111.909 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -85.77 -32.08 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.02 -57.23 6.49 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 122.443 1.116 . . . . 25.0 110.352 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.47 -14.19 62.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.803 -1.544 . . . . 25.0 111.238 -176.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.3 76.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -99.09 -13.93 19.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.3 m -64.18 155.41 31.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.655 -0.653 . . . . 25.0 111.619 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.43 -20.47 30.09 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 111.648 -0.581 . . . . 25.0 111.648 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -64.74 -34.59 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -105.62 41.74 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 124.981 2.324 . . . . 25.0 116.673 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.46 -30.7 9.12 Favored Glycine 0 C--N 1.286 -2.219 0 CA-C-N 112.653 -2.067 . . . . 25.0 114.193 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -143.93 164.88 29.31 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 121.855 0.836 . . . . 25.0 112.795 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -76.8 -15.5 59.71 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 125.76 1.624 . . . . 25.0 112.095 -170.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -110.24 6.52 22.65 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.212 1.006 . . . . 25.0 109.105 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -127.41 152.08 47.98 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.891 -1.504 . . . . 25.0 107.792 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.44 149.0 23.62 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.6 153.47 28.0 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.29 -0.564 . . . . 25.0 111.318 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -56.79 -40.42 75.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.901 -0.591 . . . . 25.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -55.33 -44.66 76.09 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.18 -38.11 81.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.464 0.65 . . . . 25.0 110.203 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.31 -38.19 90.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 25.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.61 -32.81 74.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.551 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -82.9 -39.78 21.06 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.84 -32.47 67.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.636 -0.665 . . . . 25.0 110.389 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.597 -0.689 . . . . 25.0 110.433 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.48 -22.36 51.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.043 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -31.65 22.51 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.22 -45.4 8.26 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.26 -61.86 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.892 -174.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 46.24 34.7 2.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.459 1.281 . . . . 25.0 114.459 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.6 -43.3 0.08 OUTLIER Glycine 0 C--O 1.225 -0.428 0 CA-C-O 121.428 0.46 . . . . 25.0 112.531 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.85 -14.48 61.09 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.364 -1.08 . . . . 25.0 113.353 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.508 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.24 -20.86 66.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.216 -0.902 . . . . 25.0 109.94 173.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.19 -26.01 13.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 123.489 1.614 . . . . 25.0 109.305 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.5 48.69 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.651 -1.159 . . . . 25.0 110.918 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.94 132.88 48.85 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 125.695 1.598 . . . . 25.0 109.278 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -116.35 -29.33 6.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -76.68 92.91 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.21 0.528 . . . . 25.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.76 -35.76 74.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.929 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.41 -31.49 71.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 25.0 111.154 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -54.77 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.837 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.48 -32.54 58.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.61 -44.33 86.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.292 0.568 . . . . 25.0 110.041 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -31.4 70.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.934 -177.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -77.52 -43.91 29.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.071 -0.513 . . . . 25.0 109.829 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.18 -40.73 96.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.472 -0.768 . . . . 25.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -71.58 -25.15 62.07 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.527 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.41 56.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 105.454 -2.054 . . . . 25.0 105.454 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -33.31 73.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.781 -1.1 . . . . 25.0 111.367 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.1 -33.64 74.91 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.717 -0.614 . . . . 25.0 112.356 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -86.64 -31.58 21.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.883 0.849 . . . . 25.0 111.807 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -103.47 4.58 36.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.977 -1.01 . . . . 25.0 113.527 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -30.82 73.82 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 116.055 -0.52 . . . . 25.0 113.64 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -0.98 48.67 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.72 -178.31 39.46 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -119.93 144.24 47.55 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 112.908 -1.646 . . . . 25.0 112.7 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -143.06 -179.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.144 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.42 -174.2 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 122.407 0.283 . . . . 25.0 110.578 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -57.34 -38.64 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.261 0.553 . . . . 25.0 109.652 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.51 -32.0 69.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.478 . . . . 25.0 110.397 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -68.22 -44.43 75.75 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.296 -0.878 . . . . 25.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -62.77 -31.53 52.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.031 -0.418 . . . . 25.0 111.912 -177.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.48 -27.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 121.382 -0.823 . . . . 25.0 110.289 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -66.72 -29.95 70.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.43 -31.35 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 119.006 -1.077 . . . . 25.0 109.407 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.66 62.8 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.056 -0.403 . . . . 25.0 111.564 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.87 74.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.432 0.634 . . . . 25.0 109.454 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 31.3 mt -75.74 -34.0 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -45.2 78.29 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.729 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.66 -32.3 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.299 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.36 -26.53 63.77 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 122.144 -0.347 . . . . 25.0 110.364 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.41 -51.07 6.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -105.15 -38.39 6.57 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -170.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -20.33 62.21 Favored 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.526 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.0 OUTLIER -46.27 -20.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 177.147 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -76.44 10.9 1.81 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.878 0.871 . . . . 25.0 112.717 173.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.526 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.98 -19.87 61.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.252 0.621 . . . . 25.0 110.662 174.399 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.81 154.85 39.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.21 123.8 17.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.353 0.597 . . . . 25.0 109.652 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.245 0.819 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 -177.409 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -105.55 -178.09 3.55 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 124.35 1.06 . . . . 25.0 112.23 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.94 -32.39 40.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 25.0 110.308 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -33.69 73.69 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.45 -28.81 56.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -66.06 -23.08 66.47 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 121.86 0.838 . . . . 25.0 109.932 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.17 29.63 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 114.789 -1.096 . . . . 25.0 113.846 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.3 ptp -61.23 -24.72 66.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.14 -33.45 75.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.17 0.51 . . . . 25.0 110.246 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.8 p -76.17 -38.76 56.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 25.0 111.535 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.43 87.35 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.34 -39.52 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.41 -46.17 73.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.922 0.139 . . . . 25.0 111.037 -177.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.7 m -85.53 -30.28 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.98 -58.6 5.17 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.46 1.124 . . . . 25.0 111.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.16 -14.59 62.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.171 -1.377 . . . . 25.0 111.17 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.81 79.79 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.489 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -103.65 -10.32 18.48 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 28' ' ' LEU . 85.1 p -58.65 141.89 51.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.91 8.32 26.11 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.032 0.773 . . . . 25.0 115.032 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.27 -29.66 64.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.349 1.071 . . . . 25.0 110.371 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 22' ' ' GLU . 1.6 pm0 -95.34 -16.91 22.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.058 -1.883 . . . . 25.0 110.692 -175.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.45 -7.77 7.47 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 117.105 1.602 . . . . 25.0 117.105 173.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -137.74 133.87 34.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.547 1.173 . . . . 25.0 112.486 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -72.45 -18.4 61.7 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.675 -0.641 . . . . 25.0 111.803 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -82.35 -2.06 51.7 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.89 0.852 . . . . 25.0 111.552 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -130.55 170.97 13.55 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 113.907 -1.497 . . . . 25.0 109.808 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.1 tp -154.57 143.57 21.02 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 168.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.499 ' H ' HD12 ' A' ' 28' ' ' LEU . 97.4 p -67.64 148.51 51.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.46 -44.91 89.43 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.176 0.444 . . . . 25.0 111.217 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -55.05 -40.43 70.28 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 28' ' ' LEU . 24.6 tp10 -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 25.0 111.609 -175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.56 -37.79 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.875 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -35.25 79.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.492 -0.322 . . . . 25.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.66 -40.36 20.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.74 -29.66 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.451 -0.781 . . . . 25.0 110.167 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.25 -43.59 94.42 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.071 -0.393 . . . . 25.0 110.103 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -80.12 -22.78 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.606 -0.683 . . . . 25.0 110.977 -175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.58 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.754 0.279 . . . . 25.0 111.754 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.18 -45.12 6.01 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -58.84 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 25.0 111.754 -174.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.92 24.57 0.37 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.77 -56.33 0.11 Allowed Glycine 0 C--O 1.228 -0.269 0 CA-C-O 121.76 0.644 . . . . 25.0 112.828 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -70.39 -21.59 62.84 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -173.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.11 -27.18 66.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.219 -0.9 . . . . 25.0 110.12 176.261 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.84 -25.67 14.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.717 1.246 . . . . 25.0 109.492 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -68.53 -9.86 51.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.348 -1.296 . . . . 25.0 112.306 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.85 140.84 58.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 122.64 0.376 . . . . 25.0 111.652 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -123.15 -20.89 5.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.93 96.15 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.147 0.499 . . . . 25.0 110.086 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.66 -34.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.065 0.546 . . . . 25.0 112.37 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.63 -35.66 73.04 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.899 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.67 50.5 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.472 -0.491 . . . . 25.0 109.85 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.4 -34.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.287 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -65.88 -42.6 90.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.971 0.415 . . . . 25.0 110.797 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -78.84 -28.84 44.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.5 t -80.91 -42.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 122.064 0.146 . . . . 25.0 110.784 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.24 -0.984 . . . . 25.0 109.57 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -20.69 63.95 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.777 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -78.42 -50.57 11.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -30.62 71.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.459 -0.792 . . . . 25.0 111.122 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.88 -36.86 83.25 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.922 -0.486 . . . . 25.0 112.271 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -84.38 -32.08 24.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.945 0.878 . . . . 25.0 111.747 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -105.28 2.09 28.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.41 -1.268 . . . . 25.0 113.999 -169.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.35 63.91 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.541 0.577 . . . . 25.0 114.541 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.28 -9.41 58.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.837 0.318 . . . . 25.0 111.266 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.69 -161.2 37.09 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-O 122.663 1.146 . . . . 25.0 110.549 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 8.1 pt-20 -137.55 153.54 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.333 1.234 . . . . 25.0 114.333 -173.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.53 -178.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.367 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -127.43 -174.11 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.825 0.284 . . . . 25.0 110.627 -174.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.06 -39.7 79.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 75' ' ' VAL . 27.4 tt0 -65.79 -39.1 90.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.808 -0.558 . . . . 25.0 109.732 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -34.18 76.83 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.803 -0.759 . . . . 25.0 110.14 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.39 -43.02 82.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.918 -0.489 . . . . 25.0 110.931 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -62.2 -30.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.045 -0.409 . . . . 25.0 111.394 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.58 -39.96 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.95 -34.56 77.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.433 -0.349 . . . . 25.0 111.76 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.09 -34.89 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 119.393 -0.923 . . . . 25.0 109.509 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.63 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.979 -0.451 . . . . 25.0 111.826 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.82 74.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.16 -36.71 69.39 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -47.5 71.8 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.694 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.12 -33.56 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.05 -0.66 . . . . 25.0 110.381 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -33.97 62.65 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.562 -0.455 . . . . 25.0 109.878 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.17 -48.16 16.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -105.27 -46.35 4.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.314 21.4 m120 -73.56 -16.5 61.26 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 124.962 1.305 . . . . 25.0 112.919 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.479 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 13.4 p90 -47.69 -15.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.801 2.149 . . . . 25.0 116.801 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -83.08 11.19 6.65 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-O 121.945 0.879 . . . . 25.0 110.163 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.54 -7.95 0.48 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.913 1.449 . . . . 25.0 114.913 176.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -54.53 117.44 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.229 1.014 . . . . 25.0 110.843 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.76 135.27 36.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.547 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.239 0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 -177.881 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.413 0 N-CA-C 112.84 -0.104 . . . . 25.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p -76.17 163.26 27.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.581 0.705 . . . . 25.0 109.555 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.86 -38.96 69.99 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.342 -0.849 . . . . 25.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -31.42 72.61 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.34 -30.14 60.17 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -70.29 -22.76 62.82 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.45 -54.26 34.64 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -177.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.7 ptp -59.74 -26.11 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.01 -32.61 74.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.424 0.631 . . . . 25.0 110.845 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -77.75 -35.38 51.87 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.379 -0.528 . . . . 25.0 111.216 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.61 -35.76 81.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.4 -39.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.21 74.8 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 123.295 0.372 . . . . 25.0 111.754 -176.32 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG13 ' ND2' ' B' ' 13' ' ' ASN . 33.1 m -86.82 -29.13 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.46 -58.75 3.85 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 122.594 1.187 . . . . 25.0 111.158 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.63 -14.11 62.35 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.834 -1.53 . . . . 25.0 111.049 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.22 75.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.036 -0.728 . . . . 25.0 109.036 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -107.57 -3.32 19.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.487 ' HA ' HD13 ' B' ' 28' ' ' LEU . 78.2 p -61.51 154.79 23.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -174.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.39 9.66 52.75 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.343 0.897 . . . . 25.0 115.343 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -70.85 -29.46 65.6 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.567 1.175 . . . . 25.0 109.526 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' B' ' 22' ' ' GLU . 2.0 pm0 -98.01 -15.0 20.25 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.868 -1.969 . . . . 25.0 112.039 -174.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.13 7.74 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 117.439 1.735 . . . . 25.0 117.439 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.17 151.16 51.97 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.745 2.128 . . . . 25.0 116.745 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -26.87 68.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -175.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.37 9.2 23.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.07 157.37 29.07 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.518 HD12 ' H ' ' B' ' 29' ' ' SER . 2.1 tp -147.95 141.12 25.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.518 ' H ' HD12 ' B' ' 28' ' ' LEU . 79.2 p -70.44 146.43 50.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' B' ' 69' ' ' VAL . 32.4 mttm -56.11 -42.75 77.3 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -56.03 -38.12 70.11 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' B' ' 28' ' ' LEU . 14.1 tp10 -69.46 -40.12 77.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.375 0.607 . . . . 25.0 110.115 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.87 -38.26 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.75 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -60.01 -38.77 83.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.487 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -82.73 -41.25 19.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.41 -31.22 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.849 -0.74 . . . . 25.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -44.15 92.29 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.989 -0.444 . . . . 25.0 110.843 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.55 -22.61 43.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.584 -0.846 . . . . 25.0 111.172 -173.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -31.11 56.29 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.174 0.296 . . . . 25.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -96.96 -44.56 6.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -66.53 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.803 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.86 30.37 1.2 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.96 -56.96 0.08 OUTLIER Glycine 0 C--O 1.224 -0.496 0 CA-C-O 122.057 0.809 . . . . 25.0 113.468 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.505 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.99 -26.97 66.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.598 175.741 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.59 -23.23 17.73 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.661 1.22 . . . . 25.0 109.419 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 -12.35 60.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.494 -1.23 . . . . 25.0 111.867 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.88 141.42 58.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.661 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -123.08 -23.86 4.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -74.7 95.49 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 25.0 110.891 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.88 -34.74 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.37 -37.01 74.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.234 -0.986 . . . . 25.0 110.123 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.62 -50.21 53.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.57 -36.11 75.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.404 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.48 -46.98 74.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.991 0.424 . . . . 25.0 111.031 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -76.96 -24.79 52.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -86.18 -40.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 122.53 0.332 . . . . 25.0 110.614 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.8 mmm -62.96 -41.36 99.51 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.361 -0.936 . . . . 25.0 108.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -72.51 -24.57 61.17 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -70.92 -46.79 61.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -32.85 74.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.614 -1.176 . . . . 25.0 110.4 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.96 -34.3 77.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -85.34 -32.31 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.904 0.859 . . . . 25.0 111.477 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -103.68 3.67 34.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.912 -1.04 . . . . 25.0 113.1 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.09 -31.41 72.83 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.004 0.761 . . . . 25.0 115.004 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -80.46 -1.13 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.735 0.303 . . . . 25.0 111.543 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.71 -160.46 36.57 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.921 -1.672 . . . . 25.0 108.921 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -142.69 148.18 36.91 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -174.018 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.443 HG11 ' HE2' ' B' ' 30' ' ' LYS . 10.5 m -146.49 -179.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.205 -1.361 . . . . 25.0 108.575 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -127.2 -174.26 3.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.404 0.547 . . . . 25.0 112.089 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -56.96 -41.95 79.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -62.94 -39.06 93.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -31.49 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.267 -0.573 . . . . 25.0 111.221 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -68.12 -40.49 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 75' ' ' VAL . 39.7 t -59.09 -37.36 67.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.564 -0.743 . . . . 25.0 111.572 176.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.27 -38.53 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.74 -36.06 83.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.796 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.77 -32.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.133 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.09 -20.57 60.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.74 -36.78 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -43.85 78.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.199 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -68.27 -34.14 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.829 -0.748 . . . . 25.0 109.909 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.4 68.52 Favored 'General case' 0 C--O 1.207 -1.159 0 C-N-CA 119.826 -0.749 . . . . 25.0 109.378 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.61 -42.6 24.59 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -112.67 -33.07 6.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -81.83 -21.16 37.77 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.603 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 3.8 p90 -43.88 -15.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 118.135 2.642 . . . . 25.0 118.135 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.22 5.44 10.27 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.987 -0.446 . . . . 25.0 111.411 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.42 -8.27 2.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 177.142 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -63.41 138.22 58.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.801 0.81 . . . . 25.0 111.341 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -94.7 156.17 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.459 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.251 1.171 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.522 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.848 0 N-CA-C 111.286 -0.726 . . . . 25.0 111.286 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -105.55 -178.48 3.67 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 123.408 0.683 . . . . 25.0 109.282 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -79.7 -18.79 50.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.287 0.565 . . . . 25.0 110.375 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -25.3 66.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -31.18 44.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.242 0.544 . . . . 25.0 111.97 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -25.13 67.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.674 1.226 . . . . 25.0 108.105 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.14 -57.91 9.84 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.41 -0.806 . . . . 25.0 112.488 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -59.26 -27.62 65.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.09 -34.12 76.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 25.0 110.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.2 p -76.2 -36.42 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 111.584 -177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.83 -37.57 88.07 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 108.875 -0.787 . . . . 25.0 108.875 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.69 -39.62 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -47.33 76.98 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 116.677 -0.238 . . . . 25.0 111.283 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 4' ' ' LEU . 21.7 m -81.85 -31.55 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.0 -57.79 6.19 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 122.455 1.121 . . . . 25.0 109.838 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.918 -1.492 . . . . 25.0 111.197 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -98.08 -4.49 35.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -67.83 156.29 37.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.8 41.8 Favored Glycine 0 C--O 1.223 -0.553 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.825 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -67.48 -27.96 67.45 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.585 -0.362 . . . . 25.0 110.405 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -77.97 -27.62 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.668 0.747 . . . . 25.0 110.784 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.6 -30.77 4.14 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 -175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -114.78 160.14 19.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.471 0.653 . . . . 25.0 109.98 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.82 -15.09 26.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.142 1.377 . . . . 25.0 112.087 -168.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -108.58 5.12 24.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.231 1.015 . . . . 25.0 108.803 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.79 157.15 43.62 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -155.16 160.21 40.74 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -82.32 152.2 26.39 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.152 -0.619 . . . . 25.0 109.333 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -58.28 -39.89 80.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.505 0.193 . . . . 25.0 111.137 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -59.21 -35.36 73.49 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.77 -39.83 76.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.525 0.679 . . . . 25.0 109.777 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.05 -38.33 90.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.411 -0.813 . . . . 25.0 110.665 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.07 -41.67 79.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.229 -0.441 . . . . 25.0 110.859 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -82.66 -39.43 22.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.71 -30.25 69.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.13 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.978 -0.451 . . . . 25.0 110.692 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.86 -22.56 36.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.084 -0.646 . . . . 25.0 110.348 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -36.39 55.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.99 -45.16 8.07 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.2 tt -85.49 -58.77 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 25.0 112.123 -172.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p 45.78 26.75 0.39 Allowed 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 117.063 2.246 . . . . 25.0 117.063 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.74 -56.36 0.09 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.853 0.696 . . . . 25.0 113.405 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -70.41 -17.79 63.02 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -174.388 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.96 -25.83 68.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.987 -1.006 . . . . 25.0 109.392 175.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.09 -16.55 17.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 122.875 1.321 . . . . 25.0 109.489 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.02 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.649 -1.16 . . . . 25.0 110.802 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -67.83 129.72 40.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.416 -0.356 . . . . 25.0 111.195 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -115.61 -21.39 9.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.473 0.309 . . . . 25.0 111.452 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -75.65 97.87 3.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 25.0 110.998 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.15 -34.07 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.965 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.4 -37.02 74.4 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.244 -0.982 . . . . 25.0 110.032 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -50.6 57.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.546 -0.538 . . . . 25.0 109.546 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.88 -35.75 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.76 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.64 -42.26 95.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.951 0.405 . . . . 25.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -79.66 -29.31 40.84 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.6 -40.38 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 122.094 0.158 . . . . 25.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtm -63.54 -41.88 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.264 -0.975 . . . . 25.0 109.56 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -72.54 -19.58 61.48 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.498 -0.481 . . . . 25.0 112.261 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -49.04 17.94 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -32.2 73.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.128 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -66.42 -34.46 78.01 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 121.765 -0.585 . . . . 25.0 112.126 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -85.69 -32.7 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.728 0.775 . . . . 25.0 112.104 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -106.67 4.56 27.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 25.0 113.595 -169.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.6 67.32 Favored Glycine 0 CA--C 1.508 -0.403 0 CA-C-N 116.46 -0.336 . . . . 25.0 113.661 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.08 2.48 39.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.75 -178.34 35.09 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 106.48 -2.648 . . . . 25.0 106.48 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 148.95 48.32 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 113.223 -1.489 . . . . 25.0 113.996 -169.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.49 -178.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 113.879 -1.51 . . . . 25.0 109.727 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -131.1 -174.13 3.3 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.118 -0.364 . . . . 25.0 110.919 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.01 -38.78 73.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.8 tt0 -66.37 -40.85 89.98 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -177.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.02 -31.55 70.44 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.593 -0.692 . . . . 25.0 110.462 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -67.73 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.671 -0.643 . . . . 25.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.55 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -63.52 -28.41 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 121.873 -0.517 . . . . 25.0 111.227 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.57 -40.08 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.68 -34.26 77.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.53 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.41 -33.21 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 119.389 -0.924 . . . . 25.0 109.578 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -20.67 63.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.769 -0.582 . . . . 25.0 111.926 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.55 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.58 -37.18 71.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -45.39 76.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.773 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.9 m -68.91 -32.04 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.212 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.81 -25.45 59.04 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.626 -0.671 . . . . 25.0 110.511 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -84.09 -52.66 6.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -104.55 -42.12 5.52 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -170.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 121.678 -0.639 . . . . 25.0 109.33 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.521 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -45.9 -21.9 0.16 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.575 1.694 . . . . 25.0 115.575 175.146 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -76.8 11.09 1.85 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.597 -0.729 . . . . 25.0 112.52 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -62.03 -17.28 56.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.861 0.864 . . . . 25.0 109.824 173.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -111.8 168.25 9.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.518 0.675 . . . . 25.0 111.569 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -86.12 77.98 9.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 123.291 1.52 . . . . 25.0 108.626 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--N 1.306 -1.29 0 CA-C-N 112.487 -2.142 . . . . 25.0 111.867 178.754 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.487 0 N-CA-C 110.659 -0.977 . . . . 25.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -78.03 160.94 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.375 0.607 . . . . 25.0 110.985 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.38 -42.13 88.37 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.78 -0.575 . . . . 25.0 112.516 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.47 HD22 HG11 ' A' ' 14' ' ' VAL . 2.2 pt? -68.27 -28.47 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.96 -30.59 31.64 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.873 -0.731 . . . . 25.0 111.702 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.9 m -67.63 -22.39 65.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.548 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.24 -56.74 14.12 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.699 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.2 ptp -61.42 -24.16 66.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.97 -32.24 73.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.517 0.675 . . . . 25.0 110.626 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.8 p -75.08 -38.69 61.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.236 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -37.24 86.03 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.17 -42.01 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.7 77.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -176.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -85.49 -29.93 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -68.14 -59.51 3.18 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.134 0.969 . . . . 25.0 110.112 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -66.63 -19.08 65.69 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.093 -1.412 . . . . 25.0 110.991 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.67 91.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.383 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -105.43 -4.16 21.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.54 157.61 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.1 1.518 . . . . 25.0 115.1 -174.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.81 -8.65 31.91 Favored Glycine 0 CA--C 1.508 -0.35 0 CA-C-N 114.99 -1.004 . . . . 25.0 112.672 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.69 -38.04 86.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.27 41.76 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 125.267 2.461 . . . . 25.0 116.031 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 -30.74 6.66 Favored Glycine 0 C--N 1.286 -2.206 0 CA-C-N 112.141 -2.299 . . . . 25.0 115.248 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.09 157.2 46.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.315 1.055 . . . . 25.0 112.33 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -66.14 -16.33 63.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.489 1.515 . . . . 25.0 113.957 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -107.35 11.12 29.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.265 0.555 . . . . 25.0 110.284 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.32 149.24 52.1 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.771 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.0 mt -154.41 157.28 38.25 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.3 p -76.27 156.47 33.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -58.15 -42.56 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.964 -0.294 . . . . 25.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -59.35 -38.75 81.17 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.96 -36.19 83.14 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.332 0.586 . . . . 25.0 110.809 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.28 -38.34 87.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.546 . . . . 25.0 110.371 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 -34.13 76.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.62 -42.3 52.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.675 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.31 -30.81 62.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.728 -0.608 . . . . 25.0 110.952 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.34 -42.02 99.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.79 -0.569 . . . . 25.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.05 -22.29 45.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.602 -174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -32.32 44.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.438 0.461 . . . . 25.0 111.469 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -98.47 -45.13 6.23 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 114.09 1.144 . . . . 25.0 114.09 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.688 HD22 ' H ' ' B' ' 44' ' ' PHE . 1.5 tt -81.49 -59.03 2.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.062 -174.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 46.73 26.08 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.78 -57.65 0.1 OUTLIER Glycine 0 C--O 1.226 -0.387 0 CA-C-O 121.937 0.743 . . . . 25.0 113.232 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.688 ' H ' HD22 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -68.2 -23.19 64.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -174.3 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.487 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.78 -24.94 67.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.167 -0.924 . . . . 25.0 110.59 177.589 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.74 -19.63 14.67 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.723 1.249 . . . . 25.0 109.332 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.88 -2.54 37.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.491 -1.231 . . . . 25.0 112.051 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -70.75 143.52 51.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.775 0.321 . . . . 25.0 111.351 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -116.73 -27.21 6.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.609 0.364 . . . . 25.0 111.812 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -76.17 92.66 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 25.0 110.948 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.51 -35.07 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.05 -38.16 75.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.282 -0.967 . . . . 25.0 109.939 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.45 59.01 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -64.41 -36.03 76.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.535 -0.466 . . . . 25.0 110.361 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.27 -48.43 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.895 0.379 . . . . 25.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -75.14 -28.99 60.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -86.68 -40.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.968 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.1 mtm -65.6 -33.42 75.86 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 118.918 -1.113 . . . . 25.0 110.077 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -75.95 -28.64 58.01 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.805 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.6 -48.6 66.35 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 106.29 -1.744 . . . . 25.0 106.29 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -30.15 71.35 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.891 -1.049 . . . . 25.0 110.796 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.62 -38.08 77.1 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.531 -0.731 . . . . 25.0 112.583 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.33 -31.39 26.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.721 0.772 . . . . 25.0 110.701 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -100.43 6.34 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.015 -0.993 . . . . 25.0 112.024 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.74 -26.76 67.31 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.745 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.65 2.95 35.01 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 123.899 0.411 . . . . 25.0 111.552 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.32 -179.1 34.11 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 107.861 -2.095 . . . . 25.0 107.861 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -117.52 141.22 48.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 112.9 -1.65 . . . . 25.0 114.471 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 m -148.16 -178.76 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.52 -1.218 . . . . 25.0 111.15 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -133.04 -174.16 3.4 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -171.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.29 -39.52 72.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.6 -38.3 90.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.79 -38.5 91.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 25.0 110.154 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -63.69 -40.87 97.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 25.0 109.119 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.55 HG12 HG13 ' A' ' 75' ' ' VAL . 18.1 t -58.4 -38.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.025 175.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.17 -39.19 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.95 -35.4 79.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -74.94 -33.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.2 -20.61 61.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.73 -35.02 75.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.08 -37.36 72.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -42.26 80.41 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.04 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.521 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.9 m -68.48 -34.94 68.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.192 -1.003 . . . . 25.0 110.044 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.9 60.21 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.71 -0.618 . . . . 25.0 110.343 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.63 -43.36 13.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.98 -34.57 3.5 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.782 1.401 . . . . 25.0 114.782 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -69.17 -17.92 63.87 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 177.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.583 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.7 OUTLIER -49.4 -15.64 0.15 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.714 1.746 . . . . 25.0 115.714 176.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -76.43 10.94 1.78 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.149 0.58 . . . . 25.0 111.892 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.583 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.54 -14.4 41.73 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.565 0.746 . . . . 25.0 111.93 176.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.62 137.49 55.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.382 -0.969 . . . . 25.0 108.382 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.98 125.05 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.528 0.68 . . . . 25.0 109.469 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.248 0.986 0 CA-C-N 114.683 -1.144 . . . . 25.0 111.202 -177.084 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 CA-C-O 119.227 -0.763 . . . . 25.0 111.571 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -66.87 156.34 35.96 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.69 -46.79 89.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.25 -32.73 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.03 -23.09 36.1 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 119.921 -0.712 . . . . 25.0 111.464 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -74.4 -22.27 59.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.34 -57.24 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 175.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.417 ' H ' ' HG2' ' A' ' 8' ' ' MET . 14.8 ptp -60.94 -24.42 66.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.0 -31.35 72.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.405 0.622 . . . . 25.0 110.082 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 31.0 p -77.44 -37.65 51.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.085 -0.385 . . . . 25.0 111.182 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -37.07 86.35 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.17 -42.73 94.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -46.19 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.103 0.252 . . . . 25.0 111.282 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -84.67 -31.27 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.94 -56.96 7.95 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.619 1.199 . . . . 25.0 110.613 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -70.85 -18.1 62.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.55 -1.659 . . . . 25.0 111.418 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.63 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.784 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.99 -5.96 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -60.82 154.71 21.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 115.396 1.628 . . . . 25.0 115.396 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 6.07 49.83 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.454 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.28 -28.38 64.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.212 -0.581 . . . . 25.0 110.867 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -26.53 23.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.85 -30.87 4.06 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-O 118.792 -1.004 . . . . 25.0 115.58 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.05 156.38 16.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.401 1.6 . . . . 25.0 111.149 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.34 -21.74 58.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 -174.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.64 11.87 29.95 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.232 0.539 . . . . 25.0 111.728 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -132.77 154.74 49.95 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -171.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.5 mt -152.8 158.54 42.39 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -83.86 151.49 25.1 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -57.24 -40.06 76.82 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -58.36 -34.33 70.56 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -69.16 -38.98 79.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.052 0.453 . . . . 25.0 110.038 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.79 -37.95 89.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.555 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.87 -38.05 86.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 25.0 110.228 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -42.81 24.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.18 -30.88 70.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.568 . . . . 25.0 109.767 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.14 -45.18 89.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.772 -0.58 . . . . 25.0 109.793 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -78.09 -22.48 48.89 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.135 -0.626 . . . . 25.0 111.585 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 -27.16 40.89 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.79 -44.89 5.4 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -86.3 -61.03 1.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.799 -175.509 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.73 23.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.69 -56.61 0.11 Allowed Glycine 0 C--O 1.226 -0.374 0 CA-C-O 121.848 0.693 . . . . 25.0 112.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.48 -19.54 62.93 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 114.065 1.135 . . . . 25.0 114.065 -173.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -25.48 68.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.18 -0.918 . . . . 25.0 109.62 176.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -102.35 -18.56 15.36 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.731 1.253 . . . . 25.0 109.367 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.82 -12.62 61.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.73 -1.123 . . . . 25.0 110.419 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.42 133.51 52.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.643 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -117.83 -21.81 8.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.551 0.34 . . . . 25.0 111.411 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -74.52 97.21 3.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.42 0.629 . . . . 25.0 111.503 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.25 -34.24 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 25.0 112.062 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -70.34 -37.98 74.77 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.336 -0.946 . . . . 25.0 110.168 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.99 60.64 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.65 -35.88 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.709 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.25 -40.61 94.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.093 -0.379 . . . . 25.0 110.799 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -80.93 -31.36 35.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -81.53 -39.79 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 mtm -63.57 -42.78 98.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.42 -0.912 . . . . 25.0 110.062 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.38 -32.02 71.8 Favored 'General case' 0 C--O 1.204 -1.312 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.134 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -48.48 71.68 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -32.83 74.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.389 -0.823 . . . . 25.0 110.879 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.05 -35.12 76.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.61 -35.53 33.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.072 0.939 . . . . 25.0 110.907 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -103.55 6.28 37.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.26 -32.44 67.75 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 114.801 0.68 . . . . 25.0 114.801 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -86.25 3.33 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.968 0.359 . . . . 25.0 111.968 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.54 -166.05 42.03 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 107.513 -2.235 . . . . 25.0 107.513 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -128.98 146.83 50.87 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.622 -0.789 . . . . 25.0 112.777 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.65 178.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.28 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -131.92 -174.22 3.36 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.562 0.345 . . . . 25.0 110.551 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.28 -41.62 76.18 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.16 -38.77 91.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.33 -31.18 69.46 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.242 -0.912 . . . . 25.0 110.744 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -40.59 85.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.611 0.719 . . . . 25.0 109.19 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.732 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.5 -37.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.309 176.026 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.02 -41.24 81.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.26 -34.64 78.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.157 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.75 -34.16 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.307 -0.957 . . . . 25.0 109.085 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -20.7 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.941 -0.475 . . . . 25.0 111.542 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.76 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.61 -36.75 73.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -45.42 75.22 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.593 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.8 m -68.95 -32.62 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 119.648 -0.821 . . . . 25.0 110.792 -177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.44 62.35 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.01 -0.431 . . . . 25.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.99 -51.83 6.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -101.9 -50.21 3.74 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.611 -169.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -61.25 -20.72 63.16 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.464 -0.334 . . . . 25.0 111.392 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 49.0 t80 -41.1 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 118.092 2.627 . . . . 25.0 118.092 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.72 11.15 4.04 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 121.507 -0.745 . . . . 25.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.446 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.46 -5.51 0.21 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 176.422 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.67 105.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 25.0 110.12 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -73.44 128.8 36.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.506 0.669 . . . . 25.0 109.899 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -174.646 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.411 0 N-CA-C 111.122 -0.791 . . . . 25.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -74.7 148.07 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.224 0.535 . . . . 25.0 110.247 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.08 -38.87 92.16 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.551 -0.718 . . . . 25.0 109.487 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -28.34 68.58 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.14 -25.26 34.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.881 -0.728 . . . . 25.0 111.111 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.3 m -69.07 -22.25 64.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.13 -58.31 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 25.0 112.017 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -58.81 -27.53 65.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.28 -35.94 76.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.648 0.737 . . . . 25.0 110.817 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.6 p -73.63 -38.55 65.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.745 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -36.89 85.13 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.055 -0.72 . . . . 25.0 109.055 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.62 -40.97 90.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -45.05 79.29 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 123.442 0.464 . . . . 25.0 111.35 -175.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.2 -33.21 9.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.962 0 CA-C-O 123.848 1.785 . . . . 25.0 113.664 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.26 -56.17 7.43 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 122.789 1.281 . . . . 25.0 111.762 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -69.37 -17.16 63.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.976 -1.465 . . . . 25.0 110.178 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.88 81.43 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -101.68 -8.97 21.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.6 m -63.45 161.82 13.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.91 -1.64 48.19 Favored Glycine 0 C--O 1.221 -0.664 0 CA-C-N 115.946 -0.57 . . . . 25.0 112.552 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -72.79 -28.4 62.56 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.297 -0.531 . . . . 25.0 112.285 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -26.69 37.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.79 -31.21 3.99 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.348 -0.842 . . . . 25.0 113.745 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -96.78 148.8 22.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.696 1.248 . . . . 25.0 110.405 171.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -16.4 61.97 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.45 6.64 30.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.13 0.491 . . . . 25.0 110.797 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -117.76 148.9 41.61 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 122.159 0.98 . . . . 25.0 110.335 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -149.15 150.24 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -79.6 153.08 29.69 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -57.28 -44.62 84.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 121.156 -0.218 . . . . 25.0 111.051 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.2 -38.91 71.62 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.97 -36.46 82.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.431 0.634 . . . . 25.0 110.86 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.19 -36.07 82.42 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.619 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -63.95 -37.77 88.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.29 -42.64 44.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.678 -174.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.27 -31.9 68.06 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.87 -0.732 . . . . 25.0 109.816 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.19 95.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.752 -0.592 . . . . 25.0 110.249 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.52 -22.75 53.99 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.876 -0.73 . . . . 25.0 110.893 -174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.77 -32.6 25.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.99 -38.87 12.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.568 0.699 . . . . 25.0 112.227 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.48 -62.75 1.42 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.855 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m 46.92 33.4 2.21 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.9 -47.54 0.07 OUTLIER Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.325 -0.464 . . . . 25.0 112.78 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.45 -15.49 61.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -176.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.521 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.093 174.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -103.03 -28.49 11.96 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 123.452 1.596 . . . . 25.0 111.131 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.05 -22.23 61.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.801 -1.545 . . . . 25.0 113.774 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.91 133.5 51.03 Favored 'General case' 0 C--O 1.186 -2.246 0 C-N-CA 124.214 1.005 . . . . 25.0 110.465 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -116.89 -28.54 6.27 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -76.09 91.22 3.1 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.48 -35.28 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.858 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -38.83 79.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.496 -0.882 . . . . 25.0 110.288 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.35 -52.15 55.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.349 0.595 . . . . 25.0 109.4 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -67.11 -33.88 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.615 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.46 -46.75 81.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.382 0.61 . . . . 25.0 110.281 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.58 -28.47 61.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.874 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -82.78 -41.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 122.435 0.294 . . . . 25.0 111.309 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.2 mmt -66.31 -39.12 89.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.047 -1.033 . . . . 25.0 109.976 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -70.53 -28.02 64.61 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 119.543 -0.863 . . . . 25.0 110.473 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -67.78 -46.97 70.47 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.889 -1.893 . . . . 25.0 105.889 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -33.6 74.67 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 114.826 -1.079 . . . . 25.0 110.703 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -69.99 -35.69 74.6 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 113.289 0.848 . . . . 25.0 113.289 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.17 -34.79 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.13 0.967 . . . . 25.0 110.502 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -100.67 6.85 44.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.507 -1.224 . . . . 25.0 112.934 -172.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.64 66.62 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 114.585 0.594 . . . . 25.0 114.585 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 0.63 31.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.715 0.265 . . . . 25.0 111.715 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.3 -159.6 34.18 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.07 151.33 51.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.291 -0.455 . . . . 25.0 112.125 -173.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.63 174.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 108.998 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.5 -174.22 3.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.54 -44.04 84.88 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -61.18 -41.81 97.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.01 -29.23 69.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.883 0.373 . . . . 25.0 111.263 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -69.04 -40.62 78.48 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.924 -0.71 . . . . 25.0 109.487 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.732 HG12 HG13 ' A' ' 75' ' ' VAL . 86.6 t -61.16 -36.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.122 177.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.99 -39.11 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.55 0.691 . . . . 25.0 109.405 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.55 -35.74 80.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.921 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.0 -30.19 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.277 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.86 61.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.516 0.674 . . . . 25.0 109.184 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.57 -35.37 46.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 25.0 109.887 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -46.4 76.59 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -64.51 -36.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.79 63.39 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.32 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.59 -49.77 9.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -106.91 -34.48 7.2 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -82.63 -16.04 49.83 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.791 -0.568 . . . . 25.0 110.253 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.488 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 64.2 t80 -40.9 -19.32 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 118.864 2.913 . . . . 25.0 118.864 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.02 11.27 18.77 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.337 0.655 . . . . 25.0 111.341 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.488 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -53.53 -21.64 6.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.193 0.997 . . . . 25.0 113.62 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.78 103.29 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -79.13 155.88 28.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.108 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.413 -0.803 . . . . 25.0 110.266 179.383 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.334 0 N-CA-C 111.455 -0.658 . . . . 25.0 111.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -105.76 165.62 11.05 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.027 0.531 . . . . 25.0 110.536 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.03 -29.68 64.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -29.68 69.98 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -174.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.81 -23.64 36.38 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.481 -0.488 . . . . 25.0 111.976 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.455 -0.942 . . . . 25.0 108.455 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.529 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.89 -55.82 20.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.176 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.0 ptp -57.64 -25.76 60.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.23 -31.31 72.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.581 0.705 . . . . 25.0 110.984 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.9 p -77.06 -37.55 54.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 25.0 111.171 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.36 80.51 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mt -60.59 -42.98 93.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 25.0 109.775 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.06 74.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.433 0.458 . . . . 25.0 111.495 -176.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -86.83 -31.08 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.964 0.728 . . . . 25.0 112.964 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.88 -56.68 7.16 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.519 1.152 . . . . 25.0 110.421 -175.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -71.91 -16.63 62.12 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.804 -1.544 . . . . 25.0 111.969 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.74 92.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.053 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -100.52 -7.43 24.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.427 ' HA ' HD13 ' A' ' 28' ' ' LEU . 65.1 m -64.35 153.73 37.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.546 0.688 . . . . 25.0 110.634 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 -18.89 40.01 Favored Glycine 0 C--O 1.224 -0.502 0 C-N-CA 120.813 -0.708 . . . . 25.0 112.294 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.01 -25.85 68.03 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.507 -0.408 . . . . 25.0 111.29 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.45 -25.89 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.396 0.617 . . . . 25.0 111.114 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.48 -25.96 5.29 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.375 -0.69 . . . . 25.0 111.375 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -120.77 154.56 35.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.203 0.525 . . . . 25.0 110.66 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -8.43 57.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -171.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.93 6.92 25.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -128.99 154.79 46.27 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.295 -1.32 . . . . 25.0 109.433 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.7 tp -158.35 141.81 15.18 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 p -72.67 149.15 44.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.148 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -54.17 -43.14 70.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -56.4 -38.1 71.06 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.74 -39.25 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 25.0 109.822 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.08 -37.6 88.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.949 -0.568 . . . . 25.0 110.399 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.91 -30.91 71.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.549 0.214 . . . . 25.0 110.489 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.76 -46.25 13.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.642 -0.254 . . . . 25.0 111.389 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.34 -31.45 71.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.782 -0.574 . . . . 25.0 110.735 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.84 -42.75 99.86 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.059 -0.401 . . . . 25.0 109.955 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.84 -22.8 36.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.671 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -32.51 66.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.528 -0.306 . . . . 25.0 110.49 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.89 -45.13 6.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -65.69 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -171.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m 42.68 35.64 0.72 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.62 -52.23 0.06 OUTLIER Glycine 0 C--O 1.223 -0.541 0 CA-C-O 122.044 0.802 . . . . 25.0 112.809 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -13.68 61.36 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -175.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.02 -24.04 67.38 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.192 -0.913 . . . . 25.0 108.952 176.021 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.19 -23.45 17.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.921 1.343 . . . . 25.0 109.061 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 -11.3 59.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.1 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.15 139.26 58.66 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.299 -0.25 . . . . 25.0 110.89 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -123.24 -30.61 3.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.292 -0.255 . . . . 25.0 111.273 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.26 87.83 4.94 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.8 -0.444 . . . . 25.0 109.8 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.84 -34.16 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.43 -30.93 70.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 25.0 111.144 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -56.36 4.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.132 0.491 . . . . 25.0 110.029 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.43 -32.81 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.95 -44.85 88.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.21 0.528 . . . . 25.0 110.084 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -32.45 72.29 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.853 -176.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.83 -44.19 32.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 116.175 -0.466 . . . . 25.0 109.806 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.623 -0.673 . . . . 25.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -23.55 56.72 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.003 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -42.94 62.04 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.904 -1.888 . . . . 25.0 105.904 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -29.43 70.76 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.56 -1.2 . . . . 25.0 110.598 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.17 -33.28 74.17 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.29 -0.881 . . . . 25.0 111.504 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -87.27 -30.9 20.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.786 0.803 . . . . 25.0 111.84 -178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -109.53 5.79 23.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.854 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -30.15 71.16 Favored Glycine 0 CA--C 1.505 -0.553 0 CA-C-N 115.919 -0.582 . . . . 25.0 113.562 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.91 -0.84 41.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.09 -163.88 39.82 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.876 -1.29 . . . . 25.0 109.876 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -127.78 147.81 50.42 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.911 -1.145 . . . . 25.0 112.071 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.45 176.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.15 -174.12 3.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -56.42 -41.44 76.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.922 0.342 . . . . 25.0 111.922 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -61.62 -43.13 99.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.136 -0.32 . . . . 25.0 110.136 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.5 67.14 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.041 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -66.45 -40.81 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.458 -0.776 . . . . 25.0 109.295 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.07 -37.26 76.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.178 -0.464 . . . . 25.0 111.244 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.82 -37.35 73.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.35 -36.64 83.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.114 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.12 -30.96 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 119.501 -0.88 . . . . 25.0 108.689 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.08 -20.59 62.34 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.78 69.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.84 -37.98 58.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -45.16 82.21 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.333 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.4 m -69.99 -30.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.738 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.36 -24.78 60.37 Favored 'General case' 0 C--O 1.197 -1.662 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -86.85 -51.37 6.11 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -108.37 -49.41 3.19 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -169.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -63.18 -20.1 65.1 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 118.979 -0.534 . . . . 25.0 111.514 178.484 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 71.4 t80 -41.34 -18.32 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.677 2.843 . . . . 25.0 118.677 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -90.08 10.9 22.47 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 123.878 0.871 . . . . 25.0 111.187 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.498 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -53.92 -6.57 0.09 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 127.225 2.21 . . . . 25.0 115.815 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -58.09 121.66 11.19 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -67.62 121.05 15.04 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.265 -0.88 . . . . 25.0 112.931 -162.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 114.257 -1.338 . . . . 25.0 113.064 -176.448 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.32 0 N-CA-C 111.859 -0.496 . . . . 25.0 111.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -73.85 148.96 41.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.245 0.545 . . . . 25.0 110.294 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -37.07 86.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.311 0.577 . . . . 25.0 109.661 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.16 -31.33 72.11 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -175.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -81.8 -22.66 37.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.099 -0.64 . . . . 25.0 111.228 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -73.15 -22.03 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.75 -54.39 44.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.59 . . . . 25.0 112.456 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.33 -35.99 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.447 0.641 . . . . 25.0 110.79 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.3 p -71.82 -38.87 70.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.145 0.498 . . . . 25.0 110.99 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.77 -36.7 84.29 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.71 -38.19 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -46.59 77.28 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.135 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.87 -29.04 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.28 -57.0 5.89 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.271 1.034 . . . . 25.0 110.735 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -72.37 -15.07 61.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.98 -1.464 . . . . 25.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -117.91 7.42 12.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -67.97 158.99 31.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.622 0.725 . . . . 25.0 109.582 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.32 63.01 Favored Glycine 0 CA--C 1.505 -0.589 0 C-N-CA 120.501 -0.857 . . . . 25.0 111.811 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.73 -22.32 63.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.628 -0.337 . . . . 25.0 110.426 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.72 -27.44 50.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.447 0.641 . . . . 25.0 110.071 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.63 -28.52 4.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.588 -0.733 . . . . 25.0 111.295 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -116.06 149.57 38.71 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.496 1.141 . . . . 25.0 113.059 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -26.73 67.44 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 126.621 1.968 . . . . 25.0 115.441 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -114.55 17.71 17.15 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 122.475 1.131 . . . . 25.0 110.441 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -133.92 154.91 50.75 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.456 -1.702 . . . . 25.0 109.306 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' B' ' 32' ' ' GLU . 7.4 tp -156.33 142.68 18.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.1 p -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.752 0.31 . . . . 25.0 110.399 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -55.15 -44.44 75.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.497 -0.32 . . . . 25.0 111.524 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -58.75 -37.95 77.37 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' B' ' 28' ' ' LEU . 1.3 tp10 -69.06 -37.21 78.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.457 0.646 . . . . 25.0 110.528 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.79 -37.32 87.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.366 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.9 -35.7 79.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.77 -0.195 . . . . 25.0 110.82 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -79.31 -40.19 31.0 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.716 -0.394 . . . . 25.0 112.054 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.32 -31.69 69.11 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.417 -0.802 . . . . 25.0 109.731 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.59 -43.37 97.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.057 -0.402 . . . . 25.0 110.484 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.84 -22.69 45.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.994 -0.682 . . . . 25.0 111.016 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -32.03 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 25.0 111.21 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -97.29 -45.32 6.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -66.93 0.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.51 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 45.46 32.76 1.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -52.32 0.06 OUTLIER Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.795 0.664 . . . . 25.0 112.845 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -13.81 61.65 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.483 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.82 -23.56 67.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.405 175.358 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.93 -14.92 19.33 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.849 1.309 . . . . 25.0 109.24 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.69 -7.03 59.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.55 -1.205 . . . . 25.0 112.211 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.4 139.98 55.8 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.262 -0.274 . . . . 25.0 110.745 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -122.0 -31.85 3.82 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.237 -0.29 . . . . 25.0 110.872 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -78.05 93.8 4.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.07 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.713 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.35 -38.49 78.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.562 -0.855 . . . . 25.0 110.316 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -54.42 38.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.557 0.694 . . . . 25.0 109.356 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.82 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.97 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.48 -45.04 80.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 25.0 110.406 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -71.5 -27.82 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.42 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.3 -42.99 20.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.29 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.66 -38.64 89.89 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.361 -0.837 . . . . 25.0 110.555 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -22.28 61.48 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.934 -0.706 . . . . 25.0 110.975 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 -47.51 27.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -29.38 70.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 25.0 111.923 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -35.88 73.48 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.613 -0.68 . . . . 25.0 111.923 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -85.52 -31.0 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.852 0.834 . . . . 25.0 111.892 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -104.43 6.52 35.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.577 -1.192 . . . . 25.0 112.85 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.52 71.79 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.03 -0.532 . . . . 25.0 114.409 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.04 4.41 30.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.129 0.465 . . . . 25.0 111.636 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.01 -162.62 37.85 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 109.305 -1.518 . . . . 25.0 109.305 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.83 146.03 51.47 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.72 -0.74 . . . . 25.0 112.947 -172.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.29 176.84 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.779 -0.646 . . . . 25.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.67 -174.18 3.23 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.51 0.324 . . . . 25.0 110.434 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.23 -38.67 71.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.422 ' HB2' HG11 ' A' ' 83' ' ' VAL . 18.9 tt0 -67.48 -39.78 85.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.072 0.463 . . . . 25.0 109.885 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.26 -29.81 66.68 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.129 -0.629 . . . . 25.0 110.142 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.94 -44.32 69.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.183 -0.948 . . . . 25.0 110.482 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -63.14 -31.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 122.026 -0.421 . . . . 25.0 111.95 -177.733 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.31 -28.66 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 121.364 -0.835 . . . . 25.0 109.73 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.37 -27.93 68.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 25.0 110.16 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.26 -32.6 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 118.994 -1.082 . . . . 25.0 109.857 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.66 63.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.99 -0.444 . . . . 25.0 111.585 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 -32.46 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.42 0.629 . . . . 25.0 109.743 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.88 -35.05 62.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.382 -0.599 . . . . 25.0 109.382 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.54 77.99 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 112.211 0.449 . . . . 25.0 112.211 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.8 m -68.4 -33.55 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.108 -1.037 . . . . 25.0 110.279 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.39 65.28 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.948 -0.47 . . . . 25.0 109.749 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -81.53 -43.29 18.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.072 1.138 . . . . 25.0 114.072 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -114.38 -41.94 3.39 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -68.14 -20.58 64.91 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 119.151 -0.452 . . . . 25.0 111.91 -177.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.566 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.4 p90 -47.17 -15.64 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 117.052 2.241 . . . . 25.0 117.052 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.17 10.87 3.19 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.845 -0.534 . . . . 25.0 111.623 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.566 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.08 -16.08 49.62 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.346 0.658 . . . . 25.0 111.801 174.147 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -123.11 127.62 48.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 25.0 110.653 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -99.56 157.36 16.51 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.254 1.307 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 175.086 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.102 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -106.26 164.8 11.72 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.54 -24.91 67.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.953 0.406 . . . . 25.0 110.181 172.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -31.27 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -80.02 -23.82 41.2 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.312 0.577 . . . . 25.0 112.536 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.09 -20.76 59.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 122.275 1.036 . . . . 25.0 108.574 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.63 -56.36 17.92 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.266 1.209 . . . . 25.0 114.266 -176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -33.91 63.12 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.268 0.627 . . . . 25.0 112.223 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.564 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 60.5 p -72.66 -38.12 67.73 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.883 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.02 -36.86 83.05 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 108.48 -0.934 . . . . 25.0 108.48 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.73 -39.12 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -46.58 77.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.403 0.149 . . . . 25.0 111.403 -178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -83.29 -31.8 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 121.212 0.529 . . . . 25.0 112.215 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.14 -56.72 6.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.393 1.092 . . . . 25.0 111.162 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.83 -16.13 62.7 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.635 -1.62 . . . . 25.0 110.924 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.55 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -106.68 -1.96 22.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.459 ' HA ' HD13 ' A' ' 28' ' ' LEU . 93.5 p -66.76 161.44 23.61 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -174.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.65 62.78 Favored Glycine 0 N--CA 1.462 0.37 0 C-N-CA 120.978 -0.63 . . . . 25.0 113.823 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -68.8 -29.14 67.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.275 0.56 . . . . 25.0 111.408 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.91 0.13 27.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 25.0 110.906 -173.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.61 -25.99 5.24 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 118.194 2.037 . . . . 25.0 118.194 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -128.94 152.74 48.23 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.99 -28.51 68.32 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 113.955 -1.475 . . . . 25.0 114.455 -171.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -110.12 13.89 23.06 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.455 1.121 . . . . 25.0 110.368 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.35 162.91 29.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.787 -1.551 . . . . 25.0 107.814 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.8 tp -158.88 154.06 25.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.441 ' H ' HD12 ' A' ' 28' ' ' LEU . 81.5 p -79.32 149.67 31.68 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.09 -40.47 81.22 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.013 -0.43 . . . . 25.0 111.887 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -58.67 -38.45 78.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.93 -40.13 79.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.31 -40.58 96.78 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.846 -0.615 . . . . 25.0 110.79 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.12 -38.39 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.011 0.434 . . . . 25.0 110.067 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.64 -44.83 40.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.166 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.72 -31.31 70.29 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.198 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.47 -41.98 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.884 -0.51 . . . . 25.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.06 -22.26 36.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.914 -0.714 . . . . 25.0 110.376 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.51 56.49 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.649 -0.25 . . . . 25.0 110.915 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.66 -45.01 8.27 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 -63.33 1.32 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.365 -174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.8 t 46.09 29.81 0.85 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.199 1.555 . . . . 25.0 115.199 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.8 -55.19 0.09 OUTLIER Glycine 0 C--N 1.333 0.392 0 CA-C-O 121.555 0.531 . . . . 25.0 113.245 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -174.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -24.68 67.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.705 -1.134 . . . . 25.0 110.262 177.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -100.13 -19.81 16.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.546 1.165 . . . . 25.0 109.018 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.66 -13.51 61.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -63.47 138.98 58.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.455 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -123.52 -24.7 4.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.892 0.477 . . . . 25.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -73.54 100.94 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 25.0 111.909 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.06 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 123.357 0.663 . . . . 25.0 112.195 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.95 -39.72 75.89 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.321 -0.951 . . . . 25.0 110.391 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -50.0 64.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.66 -35.61 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.544 -0.463 . . . . 25.0 110.147 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.41 -43.35 85.97 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.238 -0.585 . . . . 25.0 111.289 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.23 -34.85 49.02 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.23 -39.33 28.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.764 -0.198 . . . . 25.0 110.796 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.14 -36.45 77.47 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 118.612 -1.235 . . . . 25.0 110.52 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -26.57 61.25 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.901 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -48.51 62.78 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.727 -1.582 . . . . 25.0 106.727 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -32.43 73.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.641 -0.709 . . . . 25.0 111.097 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.35 -38.18 87.03 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.002 -0.436 . . . . 25.0 111.616 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.15 -29.12 25.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.154 0.502 . . . . 25.0 111.249 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.43 5.38 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -171.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.08 -32.67 67.39 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 114.474 0.55 . . . . 25.0 114.474 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -80.84 -2.96 49.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.46 -169.61 46.09 Favored Glycine 0 N--CA 1.434 -1.482 0 N-CA-C 109.311 -1.516 . . . . 25.0 109.311 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.81 145.28 50.29 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 113.396 -1.402 . . . . 25.0 112.007 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.9 -179.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.517 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.23 -174.08 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.24 -0.281 . . . . 25.0 110.24 -174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -57.23 -40.98 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' O ' HG12 ' A' ' 75' ' ' VAL . 22.1 tt0 -63.9 -40.23 96.02 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.7 -36.18 78.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.864 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -64.02 -41.23 97.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.782 -0.574 . . . . 25.0 110.638 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -63.51 -25.94 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' B' ' 76' ' ' VAL . 43.1 t -73.85 -41.22 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.75 -34.9 78.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.47 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -78.59 -33.68 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 119.693 -0.803 . . . . 25.0 109.927 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -20.55 61.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.948 -0.47 . . . . 25.0 111.388 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.52 0.676 . . . . 25.0 109.325 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -69.77 -37.41 76.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.79 -45.48 74.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.751 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.51 -32.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.783 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.2 -27.51 64.55 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 120.156 -0.618 . . . . 25.0 109.72 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.42 -53.21 6.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -101.44 -38.23 8.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 -169.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -19.52 62.34 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -40.95 -25.39 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.877 2.177 . . . . 25.0 116.877 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -78.06 11.22 2.38 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -16.72 49.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.695 0.798 . . . . 25.0 110.501 171.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.82 160.92 31.39 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.645 -0.707 . . . . 25.0 109.251 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -67.31 124.18 22.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.413 -172.237 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.3 0 N-CA-C 111.718 -0.553 . . . . 25.0 111.718 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -72.42 145.12 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 25.0 109.84 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.64 -37.63 88.05 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.0 -22.44 39.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 119.321 -0.951 . . . . 25.0 111.697 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 m -69.84 -22.36 63.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.564 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.22 -58.72 6.09 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.76 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 118.122 0.419 . . . . 25.0 111.843 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.28 -35.53 71.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.492 . . . . 25.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 49.3 p -72.16 -40.25 68.12 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 25.0 110.931 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -37.93 87.52 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.8 -41.01 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -46.46 72.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.27 -30.78 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.07 -54.47 25.34 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.755 1.264 . . . . 25.0 110.34 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -68.41 -28.9 67.49 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 113.245 -1.798 . . . . 25.0 110.363 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.37 78.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 120.506 -0.477 . . . . 25.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -101.87 -1.11 32.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.463 ' HA ' HD13 ' B' ' 28' ' ' LEU . 79.3 p -67.1 166.03 14.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.87 -10.73 64.31 Favored Glycine 0 C--O 1.222 -0.643 0 C-N-CA 120.745 -0.74 . . . . 25.0 112.848 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -61.12 -35.19 76.37 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-O 121.73 0.776 . . . . 25.0 110.842 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -75.53 -25.79 57.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.425 -1.261 . . . . 25.0 112.064 -176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -24.86 5.45 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -126.57 159.57 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -8.08 43.63 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.455 1.28 . . . . 25.0 114.455 -174.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -100.64 -7.14 24.22 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -115.57 155.73 27.06 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.391 -1.731 . . . . 25.0 106.984 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.9 tp -159.66 148.62 17.83 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.676 -1.972 . . . . 25.0 105.676 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 81.0 p -73.89 151.73 40.37 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.253 -176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -57.94 -44.6 87.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.378 -0.201 . . . . 25.0 110.983 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -55.39 -40.42 71.36 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.54 -39.21 91.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.619 0.723 . . . . 25.0 110.144 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.74 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.814 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -67.11 -32.87 74.31 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.923 -0.311 . . . . 25.0 110.287 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -75.79 -46.66 29.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.463 0.171 . . . . 25.0 111.463 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.69 -31.73 71.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.671 -0.643 . . . . 25.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.812 -0.555 . . . . 25.0 110.701 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.08 -22.45 42.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.799 -174.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -34.25 40.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.664 0.268 . . . . 25.0 111.089 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -94.56 -45.1 7.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.327 -176.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t 44.38 39.05 2.84 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 -46.19 0.06 OUTLIER Glycine 0 C--O 1.222 -0.633 0 CA-C-O 121.507 0.504 . . . . 25.0 112.78 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -16.0 62.79 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.836 -0.803 . . . . 25.0 112.909 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -65.46 -23.42 66.91 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.82 176.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.36 -13.6 23.12 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 123.251 1.5 . . . . 25.0 108.85 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.99 -5.49 56.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.203 -1.362 . . . . 25.0 112.077 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.403 ' HB3' HG11 ' B' ' 54' ' ' VAL . 4.2 mt-30 -72.84 123.84 24.19 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.177 -0.327 . . . . 25.0 110.309 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -110.64 -24.34 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.492 -0.13 . . . . 25.0 110.909 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -85.66 85.85 7.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.85 -33.44 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.907 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.93 -44.36 96.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.356 0.598 . . . . 25.0 110.6 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.81 24.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.997 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' B' ' 48' ' ' GLN . 27.9 m -67.98 -24.79 30.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -173.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.44 -45.17 63.33 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.72 -30.44 69.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.317 -1.31 . . . . 25.0 112.126 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -81.8 -42.15 19.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.917 -0.583 . . . . 25.0 110.702 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.34 -36.03 80.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 120.889 -1.132 . . . . 25.0 110.672 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -76.47 -19.91 57.54 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.565 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.45 -48.77 30.96 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -32.87 73.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.501 -1.227 . . . . 25.0 111.155 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -39.13 90.26 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.506 -0.746 . . . . 25.0 112.756 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -84.86 -29.38 25.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.693 0.759 . . . . 25.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -99.92 6.06 45.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.264 -0.88 . . . . 25.0 111.687 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.24 63.97 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.324 -0.398 . . . . 25.0 113.901 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.13 0.29 32.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.87 -167.69 34.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.596 -1.802 . . . . 25.0 108.596 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.14 153.69 49.12 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -170.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -146.7 179.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.641 -1.163 . . . . 25.0 107.991 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.7 -174.9 3.25 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.29 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -63.76 -40.74 97.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.47 -30.43 70.14 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.26 -0.275 . . . . 25.0 110.601 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -67.93 -41.33 82.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 75' ' ' VAL . 53.0 t -60.91 -37.32 76.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.542 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 76' ' ' VAL . 86.7 t -68.37 -39.63 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.72 -36.53 84.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.99 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.83 -30.12 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.649 -0.82 . . . . 25.0 109.49 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.89 -20.67 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.952 -0.467 . . . . 25.0 111.948 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.2 71.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 173.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.38 -35.54 61.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.8 m -66.8 -44.0 82.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.0 m -68.2 -33.15 59.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.077 -1.049 . . . . 25.0 110.227 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.82 63.84 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 122.053 -0.404 . . . . 25.0 110.285 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.1 t -86.32 -43.18 13.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -115.81 -34.6 4.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -73.21 -16.04 61.43 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.213 -0.305 . . . . 25.0 111.307 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.486 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 5.9 p90 -50.34 -15.71 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.375 1.991 . . . . 25.0 116.375 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -79.32 10.85 3.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.996 0.518 . . . . 25.0 111.757 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.486 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -59.76 -20.69 58.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.987 0.423 . . . . 25.0 110.794 174.257 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.06 103.37 12.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 102.202 -3.259 . . . . 25.0 102.202 168.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.32 126.09 23.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 -164.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.256 1.426 0 N-CA-C 105.343 -2.095 . . . . 25.0 105.343 179.263 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.416 0 N-CA-C 111.313 -0.715 . . . . 25.0 111.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -72.8 170.99 13.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.276 0.56 . . . . 25.0 109.559 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -40.17 74.95 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.159 0.504 . . . . 25.0 109.806 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -34.48 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.21 -27.76 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.548 -0.72 . . . . 25.0 110.395 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -77.12 -22.18 53.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.88 -52.04 61.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 ptp -61.06 -26.39 67.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.75 -33.48 76.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.319 0.58 . . . . 25.0 110.586 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.5 p -73.99 -37.94 64.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.306 0.574 . . . . 25.0 111.353 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.15 -37.52 87.65 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.24 -39.19 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -47.21 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.968 0.168 . . . . 25.0 111.264 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.4 -30.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -67.04 -59.57 3.36 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.211 1.005 . . . . 25.0 109.9 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.47 -17.56 64.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.273 -1.33 . . . . 25.0 110.658 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.64 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.237 -0.585 . . . . 25.0 109.53 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.57 -15.3 22.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' HD13 ' A' ' 28' ' ' LEU . 72.2 m -61.8 159.21 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -176.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.53 -7.71 56.17 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.077 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -63.82 -36.04 82.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.399 0.619 . . . . 25.0 109.952 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.43 -28.18 61.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 25.0 111.999 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.54 -30.83 4.14 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.0 149.0 32.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 171.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -93.24 -8.13 43.15 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -93.34 -1.08 56.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.623 1.201 . . . . 25.0 107.763 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -126.92 156.8 40.91 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 113.357 -1.747 . . . . 25.0 108.719 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' ' 19' ' ' SER . 9.2 tp -153.51 148.28 26.41 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -73.49 151.91 40.88 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.689 -0.404 . . . . 25.0 110.547 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -58.69 -43.44 90.01 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 122.386 -0.196 . . . . 25.0 110.949 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -56.41 -39.52 73.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.44 -39.92 85.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.309 0.576 . . . . 25.0 110.047 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.61 -39.05 92.53 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.278 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -63.62 -33.17 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.167 -0.213 . . . . 25.0 110.729 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -79.15 -46.84 17.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.48 0.178 . . . . 25.0 111.48 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.56 -30.04 68.73 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 121.816 -0.553 . . . . 25.0 110.606 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -45.62 89.27 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 121.774 -0.579 . . . . 25.0 110.159 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -78.12 -22.42 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.758 -0.588 . . . . 25.0 110.804 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -29.91 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.716 -0.22 . . . . 25.0 111.096 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -104.24 -45.24 4.75 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.389 1.626 . . . . 25.0 115.389 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -69.02 -57.66 5.14 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.796 -0.184 . . . . 25.0 111.058 -172.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m 42.29 26.3 0.06 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.78 -57.72 0.09 OUTLIER Glycine 0 C--N 1.334 0.461 0 CA-C-O 122.915 1.286 . . . . 25.0 112.597 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.6 m-85 -75.4 -12.12 60.19 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.591 1.33 . . . . 25.0 114.591 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.45 -24.9 67.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.196 175.03 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -91.84 -28.46 17.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 122.877 1.323 . . . . 25.0 108.235 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.84 -8.94 57.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.502 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.424 HE21 HD22 ' A' ' 81' ' ' LEU . 23.4 mt-30 -63.12 137.69 58.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -123.35 -27.08 4.16 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.12 -0.363 . . . . 25.0 110.908 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.69 92.82 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 25.0 110.131 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.66 -33.38 62.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.556 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.57 -38.34 80.65 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.66 -0.816 . . . . 25.0 110.679 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.15 40.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.471 0.653 . . . . 25.0 109.453 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.77 -32.27 57.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.843 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.79 -45.85 80.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.037 0.446 . . . . 25.0 110.229 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -70.92 -29.72 65.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.481 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.86 -43.27 24.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.32 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.5 mmt -65.98 -41.33 91.29 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.396 -0.815 . . . . 25.0 110.43 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -70.31 -20.96 62.98 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.081 -0.648 . . . . 25.0 111.538 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -46.49 38.95 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.029 -2.211 . . . . 25.0 105.029 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -26.73 68.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.546 -1.206 . . . . 25.0 111.261 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.3 -38.38 81.58 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.127 -0.358 . . . . 25.0 111.35 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -86.78 -29.37 22.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.838 0.828 . . . . 25.0 111.998 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -107.93 7.63 28.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.839 -1.073 . . . . 25.0 113.278 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.3 65.23 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.508 -0.315 . . . . 25.0 113.875 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.1 4.96 27.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.936 0.347 . . . . 25.0 111.936 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.74 -172.38 34.64 Favored Glycine 0 N--CA 1.434 -1.434 0 N-CA-C 107.445 -2.262 . . . . 25.0 107.445 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.5 150.5 50.14 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.921 -1.14 . . . . 25.0 113.691 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -145.54 178.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.699 -1.137 . . . . 25.0 109.586 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.75 -174.14 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.449 0.299 . . . . 25.0 110.305 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.49 -38.78 75.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -68.22 -39.18 82.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.106 0.479 . . . . 25.0 109.774 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -31.87 71.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 25.0 110.287 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -69.12 -46.21 68.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.112 -0.993 . . . . 25.0 110.77 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -61.78 -32.11 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 122.057 -0.402 . . . . 25.0 111.793 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.09 -27.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.461 -0.774 . . . . 25.0 110.38 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.58 -30.23 70.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.64 -34.76 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 109.525 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.71 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 110.123 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD22 HE21 ' A' ' 48' ' ' GLN . 36.5 mt -72.82 -36.36 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -47.74 73.07 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.868 -0.605 . . . . 25.0 111.321 -177.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.77 -30.77 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.937 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.09 68.21 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -89.69 -53.73 4.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.401 1.096 . . . . 25.0 112.218 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.62 -50.18 9.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.006 -1.452 . . . . 25.0 114.585 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -17.55 61.43 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 122.522 0.329 . . . . 25.0 111.872 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 74.7 t80 -40.84 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.369 2.729 . . . . 25.0 118.369 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.24 9.61 4.44 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.377 -0.827 . . . . 25.0 112.323 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -60.4 -18.03 47.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.563 0.745 . . . . 25.0 112.348 172.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.94 122.94 23.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.347 0.594 . . . . 25.0 110.656 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -94.55 114.57 26.56 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.314 -0.948 0 CA-C-N 114.8 -1.091 . . . . 25.0 113.649 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.311 0 N-CA-C 111.126 -0.79 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -82.05 144.23 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.956 0.408 . . . . 25.0 109.906 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.71 -40.1 95.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.83 71.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 25.0 112.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.29 -32.8 29.37 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.547 -0.72 . . . . 25.0 111.024 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -69.23 -21.89 63.9 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.35 -52.18 62.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.177 -0.919 . . . . 25.0 112.616 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.2 ptp -62.85 -24.57 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.87 -32.35 73.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.242 0.544 . . . . 25.0 110.297 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 43.4 p -72.96 -37.25 67.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.851 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.25 -36.25 82.54 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.61 -39.68 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.01 72.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.012 0.195 . . . . 25.0 111.423 -177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.58 -29.58 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -58.15 4.89 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.816 0.817 . . . . 25.0 110.737 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -18.52 65.4 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.753 -1.112 . . . . 25.0 110.17 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.95 89.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.396 -0.522 . . . . 25.0 110.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.11 -12.29 18.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' B' ' 28' ' ' LEU . 74.6 m -65.21 156.47 31.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.576 0.703 . . . . 25.0 111.954 -177.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.01 -21.5 39.9 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -60.5 -30.0 69.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -109.67 41.71 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 124.885 2.279 . . . . 25.0 114.901 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.51 -31.04 7.1 Favored Glycine 0 C--N 1.289 -2.065 0 CA-C-N 112.534 -2.121 . . . . 25.0 115.656 167.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -136.44 155.0 50.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 173.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -85.28 -8.71 58.38 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -173.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.68 2.45 49.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.185 0.993 . . . . 25.0 108.774 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -127.1 155.93 42.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.193 -1.367 . . . . 25.0 109.849 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 19' ' ' SER . 12.1 tp -157.24 152.97 26.79 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.494 -0.482 . . . . 25.0 111.449 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.3 -40.52 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.495 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -54.87 -41.5 70.9 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.9 -37.86 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.421 0.629 . . . . 25.0 110.311 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.17 -37.71 88.29 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.953 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -64.31 -32.17 73.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.271 -0.268 . . . . 25.0 110.619 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.65 -46.47 19.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.77 -28.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.589 -0.694 . . . . 25.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.03 -44.53 92.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.782 -0.574 . . . . 25.0 109.587 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.66 -22.45 46.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.874 -0.73 . . . . 25.0 111.141 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -25.03 58.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.741 -0.384 . . . . 25.0 111.419 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.92 -45.02 3.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 44' ' ' PHE . 1.2 tt -73.61 -64.94 0.89 Allowed 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.437 -0.505 . . . . 25.0 112.301 -172.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.9 m 34.91 35.85 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.73 -58.04 0.09 OUTLIER Glycine 0 C--N 1.335 0.479 0 CA-C-O 122.407 1.004 . . . . 25.0 113.018 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.414 ' HB2' HD21 ' B' ' 41' ' ' LEU . 37.5 m-85 -70.77 -23.73 62.46 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -58.07 -27.46 63.66 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.878 -1.056 . . . . 25.0 111.351 176.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.29 -20.2 23.2 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 123.327 1.537 . . . . 25.0 108.737 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.34 -1.85 58.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.693 -1.594 . . . . 25.0 111.509 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.57 142.44 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -120.73 -29.74 4.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -77.33 92.78 3.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 25.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -34.49 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.354 . . . . 25.0 111.931 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.71 -38.52 76.97 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.263 -0.975 . . . . 25.0 110.08 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.24 -51.83 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.56 -34.81 72.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.045 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.02 -46.87 76.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.11 0.481 . . . . 25.0 110.419 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -73.45 -28.15 61.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.394 . . . . 25.0 111.949 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.71 -41.22 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.304 -0.258 . . . . 25.0 110.304 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.3 mmt -63.93 -42.35 97.39 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.304 -0.872 . . . . 25.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -73.05 -20.92 60.88 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 120.345 -0.542 . . . . 25.0 112.038 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.26 -47.93 46.43 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.308 -2.108 . . . . 25.0 105.308 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.53 -1.213 . . . . 25.0 111.067 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.02 -31.89 73.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.08 -30.4 19.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.755 0.788 . . . . 25.0 112.057 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -104.33 7.48 35.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.118 -0.946 . . . . 25.0 113.405 -171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.26 -32.53 72.25 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.29 3.77 34.02 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.09 -174.77 43.84 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 106.983 -2.447 . . . . 25.0 106.983 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -124.79 144.93 50.0 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 113.33 -1.435 . . . . 25.0 112.35 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.33 -179.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.911 . . . . 25.0 108.686 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -131.41 -174.17 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -56.93 -41.13 77.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.77 -41.77 97.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.73 -32.12 72.52 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.399 -0.521 . . . . 25.0 110.65 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.15 -42.14 84.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.629 0.728 . . . . 25.0 109.327 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 75' ' ' VAL . 22.6 t -58.44 -39.67 75.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.097 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.31 -35.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -37.63 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.897 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.85 -30.51 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 119.55 -0.86 . . . . 25.0 109.122 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.44 -20.76 61.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.66 72.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.46 -35.91 68.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -67.65 -44.42 77.93 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.952 -0.567 . . . . 25.0 112.03 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.78 -33.74 63.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.677 -0.809 . . . . 25.0 109.633 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.79 66.05 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 122.067 -0.396 . . . . 25.0 110.329 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.85 -40.17 15.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -109.38 -46.34 3.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -19.68 65.84 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 122.925 0.49 . . . . 25.0 112.311 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.542 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 2.9 p90 -47.23 -15.93 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 117.43 2.382 . . . . 25.0 117.43 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.77 9.56 3.4 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.015 -0.428 . . . . 25.0 111.898 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.542 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.39 -13.62 31.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.261 0.624 . . . . 25.0 112.013 174.191 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -116.48 160.67 20.25 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.272 0.629 . . . . 25.0 109.81 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -94.59 143.58 26.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.862 0.363 . . . . 25.0 110.729 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.252 1.202 0 CA-C-O 115.902 -1.999 . . . . 25.0 106.305 177.782 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.641 -0.584 . . . . 25.0 111.641 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.3 t -105.72 158.28 16.83 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 122.905 0.482 . . . . 25.0 110.547 -178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -28.0 69.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 170.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -29.46 69.64 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.151 0.796 . . . . 25.0 113.151 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -81.63 -22.45 37.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.563 0.697 . . . . 25.0 112.342 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -21.91 58.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.852 0.835 . . . . 25.0 109.229 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.03 -57.63 8.14 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.2 63.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.2 -33.58 72.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.966 0.507 . . . . 25.0 111.933 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 50.8 p -74.67 -38.13 62.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 25.0 111.081 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -37.15 85.56 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -61.38 -40.99 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.44 -46.71 73.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 -177.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -84.98 -29.64 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.4 -56.21 9.27 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.536 1.16 . . . . 25.0 111.298 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -70.83 -17.14 62.76 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.034 -1.439 . . . . 25.0 111.02 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.87 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 176.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -107.44 -5.09 17.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 158.99 12.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.898 0.772 . . . . 25.0 112.581 -176.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.34 45.81 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.774 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -74.27 -29.34 61.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.329 -0.513 . . . . 25.0 111.953 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.92 35.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 176.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.7 -30.98 4.07 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-O 118.956 -0.913 . . . . 25.0 114.782 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -97.29 157.6 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.942 1.371 . . . . 25.0 112.134 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE2' ' CE2' ' A' ' 26' ' ' TYR . 29.3 mtmm -68.42 -26.18 65.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 126.267 1.827 . . . . 25.0 113.572 -173.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 30.2 m-85 -109.5 9.62 25.33 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 122.194 0.997 . . . . 25.0 110.582 -174.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -124.42 152.5 43.17 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.929 -1.487 . . . . 25.0 111.177 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 29' ' ' SER . 2.0 tp -146.46 169.49 18.8 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 62.0 p -97.99 157.03 16.35 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -58.24 -49.07 78.4 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.141 -0.223 . . . . 25.0 111.385 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -54.47 -36.72 64.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.544 1.312 . . . . 25.0 114.544 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.26 -39.03 89.18 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.642 -0.423 . . . . 25.0 111.016 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 HG21 ' A' ' 69' ' ' VAL . 73.3 mt -64.01 -39.84 95.01 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 111.496 -176.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -59.49 -38.06 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.78 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -46.5 13.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -175.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.06 -36.36 83.74 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.958 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 7.0 tt -65.01 -46.15 82.59 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.792 -0.567 . . . . 25.0 110.601 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -73.85 -24.55 59.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.455 -0.898 . . . . 25.0 109.854 -171.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -28.57 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.049 0.218 . . . . 25.0 110.844 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.79 -37.07 12.53 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.42 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.777 -172.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.6 m 44.99 29.52 0.48 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.319 1.6 . . . . 25.0 115.319 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.37 -56.05 0.08 OUTLIER Glycine 0 C--O 1.226 -0.361 0 CA-C-O 122.076 0.82 . . . . 25.0 113.44 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -21.32 64.69 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.36 -26.58 66.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.638 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.43 -27.52 18.25 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.814 1.292 . . . . 25.0 108.905 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.18 62.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.286 -1.324 . . . . 25.0 112.449 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -63.56 141.37 58.79 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 122.607 0.363 . . . . 25.0 111.508 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -126.87 -25.92 3.26 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -74.61 93.47 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 25.0 110.316 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.3 -34.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.626 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.68 -38.03 83.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.156 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.8 -52.35 21.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.776 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.73 -34.44 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.772 0.32 . . . . 25.0 110.911 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.78 -46.52 84.87 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -36.42 64.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -174.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.62 -42.16 62.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.83 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -66.72 -42.73 85.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.004 -1.079 . . . . 25.0 110.723 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -70.61 -26.4 63.48 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.906 -0.718 . . . . 25.0 111.819 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.65 -49.01 62.47 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -34.65 78.86 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.088 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.71 -37.77 85.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -81.41 -32.42 32.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.692 0.758 . . . . 25.0 110.094 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -104.43 10.18 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -171.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.45 -32.49 57.91 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 115.825 1.09 . . . . 25.0 115.825 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -81.08 3.57 22.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.25 0.525 . . . . 25.0 111.442 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.23 -163.54 36.07 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 108.375 -1.89 . . . . 25.0 108.375 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.4 pt-20 -133.95 160.7 36.89 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.914 -0.643 . . . . 25.0 112.623 -171.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG21 HD11 ' A' ' 33' ' ' LEU . 17.7 m -147.96 166.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.719 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.69 -174.13 2.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.78 -38.94 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 75' ' ' VAL . 19.0 tt0 -66.91 -38.29 85.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -37.04 86.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.257 0.551 . . . . 25.0 110.362 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -67.04 -43.07 83.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.099 -0.376 . . . . 25.0 110.586 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -62.51 -29.95 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.495 -179.129 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.61 -40.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.34 -35.16 79.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.041 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -75.46 -34.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.34 -0.944 . . . . 25.0 108.688 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.18 -20.8 63.1 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.911 -0.493 . . . . 25.0 111.624 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.93 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.2 -38.33 69.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -66.41 -47.11 74.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.726 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -67.53 -34.07 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.711 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.01 65.49 Favored 'General case' 0 C--O 1.204 -1.305 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.36 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.9 -54.44 5.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.3 -51.34 4.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.92 -168.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -71.66 -16.21 62.25 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.892 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 77.1 t80 -40.66 -23.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 118.314 2.709 . . . . 25.0 118.314 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.15 12.32 6.68 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.36 0.664 . . . . 25.0 112.383 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.482 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -56.13 -20.26 16.81 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.475 1.11 . . . . 25.0 113.116 175.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.77 163.95 26.18 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.79 77.84 9.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 124.494 2.092 . . . . 25.0 106.038 168.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 109.402 -3.544 . . . . 25.0 108.975 -175.469 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.216 0 N-CA-C 108.857 -1.697 . . . . 25.0 108.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -63.06 144.19 57.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.31 -43.54 92.63 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.788 -0.57 . . . . 25.0 110.649 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.63 -26.98 67.34 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -28.92 31.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.894 -0.504 . . . . 25.0 111.899 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -72.32 -20.74 61.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.26 -54.62 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.39 69.3 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.91 70.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.042 0.448 . . . . 25.0 111.108 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.58 -39.68 62.1 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.896 -0.503 . . . . 25.0 110.765 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -36.87 84.26 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.45 -41.29 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.85 77.15 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.391 0.432 . . . . 25.0 111.305 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.26 -29.84 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.15 -58.7 4.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.402 1.096 . . . . 25.0 110.568 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.83 -15.7 62.14 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.992 -1.458 . . . . 25.0 111.841 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.4 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.384 -0.526 . . . . 25.0 109.851 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -121.1 9.06 10.44 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.49 1.293 . . . . 25.0 114.49 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.599 ' HA ' HD13 ' B' ' 28' ' ' LEU . 95.6 p -74.52 171.63 13.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.288 0.566 . . . . 25.0 111.596 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.38 67.93 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.719 -0.753 . . . . 25.0 112.593 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.43 -35.33 80.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.835 0.826 . . . . 25.0 110.637 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.37 -24.34 57.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.064 -1.426 . . . . 25.0 111.337 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.78 -28.26 4.71 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.097 -0.801 . . . . 25.0 111.097 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -119.82 154.15 34.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.603 0.716 . . . . 25.0 112.3 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.63 42.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -100.23 5.37 44.67 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 122.03 0.919 . . . . 25.0 109.299 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -126.83 155.63 42.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.854 -1.521 . . . . 25.0 108.15 -175.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -159.16 143.65 15.48 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.4 p -72.77 149.89 43.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -55.74 -41.8 74.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.614 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -59.42 -39.09 82.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HG2' HD11 ' B' ' 28' ' ' LEU . 18.9 tp10 -67.1 -38.01 84.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.323 0.582 . . . . 25.0 109.485 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.97 -39.88 95.13 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.663 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.23 -39.65 87.43 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.224 0.535 . . . . 25.0 110.255 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -45.82 36.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.736 -0.666 . . . . 25.0 112.752 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.93 -32.71 73.35 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.197 -0.601 . . . . 25.0 110.522 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.32 -43.28 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.894 -0.503 . . . . 25.0 110.344 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.58 -22.57 43.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.853 -0.739 . . . . 25.0 111.004 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -30.92 58.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.807 0.337 . . . . 25.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 5.9 mm-40 -98.98 -45.22 6.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -66.98 0.79 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.751 -0.658 . . . . 25.0 111.13 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.8 p 38.52 41.05 0.43 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.03 -48.85 0.05 OUTLIER Glycine 0 C--O 1.223 -0.566 0 CA-C-O 122.137 0.854 . . . . 25.0 112.6 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -17.95 63.36 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -176.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.94 -24.55 67.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.932 177.421 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -91.65 -18.85 23.37 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 123.14 1.448 . . . . 25.0 109.206 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.57 -9.6 57.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.041 -1.436 . . . . 25.0 112.431 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -71.81 128.3 35.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -115.89 -25.33 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.995 0.368 . . . . 25.0 111.995 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -79.07 93.23 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 25.0 110.044 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.24 -34.72 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.306 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.25 -37.48 85.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.229 0.538 . . . . 25.0 110.34 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.67 13.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.593 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.62 -32.55 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.813 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.91 -48.95 79.46 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -35.74 72.44 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.66 -174.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.58 -43.45 62.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.62 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.74 -40.88 92.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.284 -0.885 . . . . 25.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.04 -27.46 62.72 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.085 -0.646 . . . . 25.0 111.266 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -47.92 71.11 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 177.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -31.79 73.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.575 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.7 73.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.831 -0.543 . . . . 25.0 111.389 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.8 -32.28 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.537 0.684 . . . . 25.0 110.597 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.17 6.45 33.06 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.1 -32.57 67.33 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 114.32 0.488 . . . . 25.0 114.32 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.51 -0.87 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.93 -162.29 37.87 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 109.712 -1.355 . . . . 25.0 109.712 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.36 146.29 52.21 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -172.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.54 179.07 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.507 -0.769 . . . . 25.0 109.184 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -128.47 -174.08 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.162 -0.336 . . . . 25.0 110.232 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.52 -40.49 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -64.88 -39.09 93.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.26 -0.274 . . . . 25.0 110.26 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -31.08 67.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.297 -0.561 . . . . 25.0 110.733 176.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -66.84 -40.11 87.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -57.42 -37.42 57.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.038 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -71.14 -39.73 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -65.07 -35.66 81.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.908 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.35 -31.61 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.338 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.66 61.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.13 -0.356 . . . . 25.0 111.682 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -73.37 -36.69 66.13 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.078 -0.712 . . . . 25.0 109.078 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.2 m -67.11 -45.86 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.788 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.48 -32.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.162 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.46 -24.95 61.27 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 122.069 -0.395 . . . . 25.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.7 t -85.82 -51.52 6.35 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -106.05 -37.72 6.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -19.46 62.45 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.782 -0.574 . . . . 25.0 109.733 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.434 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 64.2 t80 -40.85 -23.65 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 117.167 2.284 . . . . 25.0 117.167 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.87 11.09 3.5 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 123.37 0.668 . . . . 25.0 112.651 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.434 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.77 -12.68 11.43 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.124 0.97 . . . . 25.0 111.971 173.198 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.79 160.71 29.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -67.51 120.79 14.53 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.371 -0.932 . . . . 25.0 109.304 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.246 0.908 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.442 -178.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 CA-C-O 119.745 -0.475 . . . . 25.0 112.307 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -105.76 163.41 12.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.378 0.671 . . . . 25.0 109.873 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.0 -24.24 67.64 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.779 -0.576 . . . . 25.0 110.081 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -29.97 70.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.44 -26.84 34.99 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 118.217 0.462 . . . . 25.0 111.565 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.83 -21.25 60.98 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 123.395 1.569 . . . . 25.0 109.007 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.39 -56.9 14.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.225 -0.922 . . . . 25.0 112.375 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG2' ' H ' ' A' ' 8' ' ' MET . 12.0 ptp -58.44 -27.68 64.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.631 0.975 . . . . 25.0 113.631 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -32.69 74.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.015 0.436 . . . . 25.0 110.595 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 40.8 p -74.06 -38.25 64.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.186 0.517 . . . . 25.0 111.084 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.89 -38.1 89.83 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.28 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.18 75.09 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 111.414 0.153 . . . . 25.0 111.414 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -84.16 -31.98 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.099 0.476 . . . . 25.0 112.278 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -67.58 -57.44 6.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.961 1.362 . . . . 25.0 110.922 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.71 -14.16 61.5 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.85 -1.977 . . . . 25.0 110.945 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.63 -38.19 73.86 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.23 -5.71 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.299 0.852 . . . . 25.0 113.299 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -64.52 160.77 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -171.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.94 55.16 Favored Glycine 0 C--O 1.219 -0.797 0 CA-C-N 115.307 -0.861 . . . . 25.0 113.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -70.33 -30.42 67.38 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.498 -0.413 . . . . 25.0 111.858 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -21.64 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.98 4.08 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-O 118.974 -0.903 . . . . 25.0 114.694 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.35 155.71 18.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.757 1.279 . . . . 25.0 110.907 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -13.11 47.94 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' HD22 ' B' ' 87' ' ' ASN . 26.6 m-85 -105.48 9.52 33.52 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.221 1.01 . . . . 25.0 108.824 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -133.49 169.7 16.59 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 113.529 -1.669 . . . . 25.0 107.298 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mt -157.25 169.48 24.65 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 52.0 p -88.85 157.35 18.48 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' HD11 ' A' ' 61' ' ' LEU . 34.0 mttm -57.52 -49.61 75.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.832 0.348 . . . . 25.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -54.74 -35.57 63.88 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 115.034 1.494 . . . . 25.0 115.034 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.62 -38.18 90.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.052 0.453 . . . . 25.0 111.039 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.77 -38.74 92.24 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.833 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -63.34 -35.45 80.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.141 -0.223 . . . . 25.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -81.15 -41.37 22.53 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.432 -0.507 . . . . 25.0 111.808 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.64 -31.2 68.05 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.582 -0.699 . . . . 25.0 110.367 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -43.8 97.39 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.718 -0.614 . . . . 25.0 110.139 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -78.73 -22.43 46.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.357 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -28.25 29.5 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -99.08 -44.15 6.4 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.1 tt -81.0 -60.29 2.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.342 -174.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m 46.3 28.79 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.59 -55.12 0.07 OUTLIER Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.948 0.749 . . . . 25.0 113.687 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -71.24 -14.21 62.16 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 -175.584 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.64 -24.39 67.03 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.277 176.212 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.21 -23.32 18.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.981 1.372 . . . . 25.0 109.014 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 5.49 13.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.122 -1.399 . . . . 25.0 112.977 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.47 HE21 HD22 ' A' ' 81' ' ' LEU . 35.1 mt-30 -79.72 119.24 22.37 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.935 -0.478 . . . . 25.0 110.388 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -102.46 -24.28 13.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.029 -0.419 . . . . 25.0 111.138 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -84.54 83.29 8.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.05 -35.07 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.149 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.16 -31.92 73.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.257 0.551 . . . . 25.0 111.097 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -59.48 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.402 0.62 . . . . 25.0 109.982 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -64.29 -32.0 55.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.95 -46.55 87.21 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -24.41 63.54 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.476 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.29 -43.46 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.305 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.86 -38.03 87.72 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.975 -0.69 . . . . 25.0 109.447 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -25.86 62.11 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.405 -0.518 . . . . 25.0 111.635 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.55 -47.15 50.53 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -63.08 -33.72 76.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.118 -0.947 . . . . 25.0 110.204 -178.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.86 -37.78 82.28 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -89.15 -14.16 36.77 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.062 -0.399 . . . . 25.0 111.623 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -114.59 10.24 16.74 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.326 0.584 . . . . 25.0 112.081 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.07 -29.73 56.26 Favored Glycine 0 C--N 1.318 -0.432 0 N-CA-C 115.981 1.152 . . . . 25.0 115.981 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.94 4.12 20.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.432 0.616 . . . . 25.0 111.338 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -159.47 27.38 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 108.934 -1.666 . . . . 25.0 108.934 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.8 pt-20 -136.77 156.7 48.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.021 0.439 . . . . 25.0 112.159 -172.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.58 173.45 9.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 114.413 -1.267 . . . . 25.0 110.959 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -176.75 4.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 173.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.35 -41.67 85.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.82 -38.23 88.35 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.222 -0.924 . . . . 25.0 110.474 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -67.05 -42.2 85.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.683 0.754 . . . . 25.0 109.297 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.719 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -55.85 -37.98 49.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.581 -0.736 . . . . 25.0 112.349 176.472 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.67 -35.65 80.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.07 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.56 -35.25 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.207 -0.997 . . . . 25.0 108.564 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.19 -20.71 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.841 -0.537 . . . . 25.0 111.823 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.31 73.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.398 0.618 . . . . 25.0 109.417 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 HD22 HE21 ' A' ' 48' ' ' GLN . 36.1 mt -72.54 -35.97 68.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -42.15 76.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -68.97 -34.65 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 119.471 -0.892 . . . . 25.0 109.938 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.21 -28.99 66.86 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.5 t -82.73 -47.54 11.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.31 -41.1 4.73 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -168.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -19.49 63.6 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 123.174 0.59 . . . . 25.0 111.488 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 67.4 t80 -41.18 -21.26 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 118.07 2.618 . . . . 25.0 118.07 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.13 10.84 4.74 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.741 -0.599 . . . . 25.0 112.49 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -59.24 -18.41 36.86 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.497 0.719 . . . . 25.0 110.823 172.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.49 155.63 16.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.925 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -85.26 77.78 9.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.622 1.677 . . . . 25.0 109.373 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 112.121 -2.308 . . . . 25.0 112.764 179.157 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 110.529 -1.029 . . . . 25.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -75.67 145.43 40.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.268 0.556 . . . . 25.0 111.394 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.01 -39.71 94.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -28.14 67.87 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 25.0 112.08 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -82.17 -31.13 30.6 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.14 -0.35 . . . . 25.0 111.224 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -68.84 -22.1 64.24 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.96 -56.55 16.82 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.13 -24.92 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.45 -33.78 76.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 25.0 109.866 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 69.5 p -73.22 -39.64 65.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.991 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -37.87 89.02 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.07 -40.14 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -46.31 76.66 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.97 0.169 . . . . 25.0 111.229 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.78 -30.09 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.34 -57.83 6.63 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.606 1.193 . . . . 25.0 110.111 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -69.42 -20.28 63.79 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.461 -1.7 . . . . 25.0 110.995 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.45 91.15 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.996 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -101.78 -0.44 34.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.416 0.524 . . . . 25.0 112.416 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -73.26 159.84 32.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.659 1.355 . . . . 25.0 114.659 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -4.95 56.2 Favored Glycine 0 C--O 1.221 -0.707 0 CA-C-N 115.141 -0.936 . . . . 25.0 112.71 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -66.62 -24.13 66.27 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.59 -0.359 . . . . 25.0 110.276 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.02 -26.17 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.72 -0.673 . . . . 25.0 111.032 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.49 -30.78 4.16 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.577 -0.609 . . . . 25.0 111.577 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.99 153.09 32.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 173.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -93.07 -9.59 39.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -94.17 2.93 55.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.56 1.172 . . . . 25.0 109.297 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.81 158.39 42.61 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 113.207 -1.815 . . . . 25.0 108.367 -171.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -158.53 150.14 21.1 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 172.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.05 148.68 47.3 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -52.35 -43.29 64.56 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -56.77 -39.16 73.54 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -65.79 -38.08 88.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 25.0 110.198 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.55 -36.82 83.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.894 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -66.48 -33.23 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.254 -0.279 . . . . 25.0 110.681 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.97 -42.8 31.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.63 -30.79 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.804 -0.758 . . . . 25.0 109.594 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -43.88 95.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.727 -0.608 . . . . 25.0 110.232 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.7 -22.41 46.7 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.452 -0.78 . . . . 25.0 110.943 -175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -30.21 40.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 121.054 -0.258 . . . . 25.0 111.109 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.52 -45.1 6.22 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -65.86 0.96 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.286 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.36 35.4 2.74 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.617 1.34 . . . . 25.0 114.617 -176.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.44 -30.77 0.12 Allowed Glycine 0 C--O 1.217 -0.942 0 N-CA-C 115.856 1.102 . . . . 25.0 115.856 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -96.05 -23.74 16.66 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 121.589 -0.948 . . . . 25.0 112.102 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.445 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.72 -24.21 66.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.492 -176.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.69 -16.91 13.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.526 0.679 . . . . 25.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.98 6.68 12.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.523 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.11 126.85 30.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -100.28 -28.52 12.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.306 0.242 . . . . 25.0 111.153 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -72.66 96.86 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.359 0.599 . . . . 25.0 110.688 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.23 -33.54 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.926 . . . . 25.0 111.859 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.62 -40.76 76.4 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.473 -0.767 . . . . 25.0 109.812 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.0 70.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.578 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.01 -35.95 76.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.38 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.31 -34.22 70.4 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 119.606 -0.838 . . . . 25.0 112.901 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -83.59 -39.29 20.51 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.428 -0.17 . . . . 25.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.28 -36.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -174.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.15 -37.11 80.68 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 117.437 -1.705 . . . . 25.0 108.531 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -73.06 -25.77 61.03 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.965 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.5 -48.92 65.67 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -34.47 77.89 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.181 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -68.15 -35.47 78.13 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.871 -0.518 . . . . 25.0 112.34 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.18 -31.68 24.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.442 0.639 . . . . 25.0 110.248 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -104.03 9.59 36.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.942 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.36 -30.42 64.65 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-N 116.182 -0.463 . . . . 25.0 113.19 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.37 -0.11 35.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.9 -158.92 33.8 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 109.867 -1.293 . . . . 25.0 109.867 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.36 147.77 52.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.86 174.42 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.27 -174.1 2.97 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.995 -0.441 . . . . 25.0 110.379 -175.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -57.93 -42.11 84.18 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.93 -41.42 97.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.43 -27.73 65.52 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.981 -0.288 . . . . 25.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.61 -41.19 84.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 HG13 ' A' ' 75' ' ' VAL . 78.3 t -63.03 -34.91 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.911 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.82 -40.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.36 -36.44 82.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.231 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.19 -32.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.349 -0.94 . . . . 25.0 108.744 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.54 -20.68 60.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.47 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.75 -36.42 67.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -65.98 -47.85 73.2 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 111.929 0.344 . . . . 25.0 111.929 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.91 -34.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.19 -0.604 . . . . 25.0 109.628 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -30.26 61.01 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.749 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -84.48 -42.77 15.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.46 -52.42 2.77 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.406 HD22 ' HB3' ' A' ' 26' ' ' TYR . 35.7 m120 -67.82 -16.18 63.98 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 113.296 0.851 . . . . 25.0 113.296 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.586 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.0 p90 -46.69 -15.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 117.155 2.28 . . . . 25.0 117.155 177.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.23 9.41 3.14 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.658 0.783 . . . . 25.0 111.076 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.41 -14.4 18.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.908 0.883 . . . . 25.0 113.369 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.56 103.21 6.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -94.77 135.79 35.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.92 0.391 . . . . 25.0 110.121 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.8 p . . . . . 0 C--O 1.255 1.375 0 CA-C-O 117.001 -1.475 . . . . 25.0 110.992 178.624 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.101 0 CA-C-O 118.853 -0.97 . . . . 25.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -105.74 153.82 21.34 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 117.134 0.467 . . . . 25.0 110.817 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.92 -25.6 68.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.162 0.506 . . . . 25.0 110.412 172.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.05 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 25.0 111.792 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.93 -31.13 31.48 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.623 -0.673 . . . . 25.0 111.625 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -22.29 65.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.37 -54.44 40.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.323 -0.853 . . . . 25.0 113.091 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ptp -60.78 -27.32 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -33.01 74.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.762 0.791 . . . . 25.0 110.733 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.3 p -73.69 -38.43 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.49 . . . . 25.0 111.189 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.03 -36.62 83.74 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.65 -38.45 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.68 74.84 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 111.584 0.216 . . . . 25.0 111.584 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.35 -31.6 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -66.65 -55.33 15.73 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.496 1.141 . . . . 25.0 110.821 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -73.38 -14.46 61.28 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.608 -1.633 . . . . 25.0 110.835 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.31 -39.25 78.38 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -94.64 -10.26 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -62.1 149.5 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -170.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.22 -3.57 51.28 Favored Glycine 0 C--O 1.222 -0.647 0 CA-C-N 114.89 -1.05 . . . . 25.0 113.166 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.48 -25.06 65.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.8 -28.15 28.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.08 174.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.78 4.39 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.642 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.0 154.17 22.04 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.927 0.864 . . . . 25.0 112.339 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.31 -23.02 61.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -173.735 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -114.49 15.88 17.77 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.997 0.427 . . . . 25.0 111.496 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -132.35 150.73 52.1 Favored 'General case' 0 CA--C 1.488 -1.433 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -173.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.8 mt -154.45 148.17 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 p -70.66 150.19 46.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -52.89 -42.42 65.3 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.19 -39.44 75.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -63.61 -38.79 92.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.406 0.622 . . . . 25.0 110.489 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -37.84 84.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.506 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.74 -32.36 73.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.65 -47.38 26.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.424 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.49 -30.72 67.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.714 -0.616 . . . . 25.0 111.383 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.53 -42.03 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.775 -0.578 . . . . 25.0 110.394 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -80.32 -22.58 41.37 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.735 -0.603 . . . . 25.0 110.078 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -33.39 49.74 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.297 0.373 . . . . 25.0 111.924 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -95.19 -45.12 7.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -60.16 2.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.687 -172.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.54 25.06 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.649 1.722 . . . . 25.0 115.649 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.2 -55.81 0.1 Allowed Glycine 0 C--O 1.228 -0.246 0 CA-C-O 121.688 0.604 . . . . 25.0 112.889 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -20.09 63.13 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -174.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 -26.05 67.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.001 -1.0 . . . . 25.0 109.808 176.072 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.53 -21.41 15.93 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.591 1.186 . . . . 25.0 109.251 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.46 -12.11 61.36 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.625 -1.17 . . . . 25.0 111.53 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.96 140.25 58.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.686 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -123.97 -23.24 4.66 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -73.32 95.06 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 25.0 110.467 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.28 -34.56 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.913 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.3 -40.95 81.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.838 -1.145 . . . . 25.0 109.942 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.65 65.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.271 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.48 -33.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.18 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.96 -38.68 66.66 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.362 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -38.21 64.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.72 -39.9 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.101 -0.5 . . . . 25.0 111.681 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.7 mmt -65.89 -40.21 91.35 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.823 -1.151 . . . . 25.0 109.201 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -70.82 -22.23 62.36 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.581 -0.447 . . . . 25.0 112.038 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -74.79 -49.5 20.6 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 105.949 -1.871 . . . . 25.0 105.949 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -34.74 77.08 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.055 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.74 -33.68 76.17 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.36 -31.71 21.36 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.924 0.868 . . . . 25.0 111.624 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -101.94 9.42 40.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.841 -1.072 . . . . 25.0 112.659 -171.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.2 -32.41 67.44 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -85.47 6.81 25.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.882 0.341 . . . . 25.0 111.879 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.29 -158.42 31.25 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.565 -1.814 . . . . 25.0 108.565 174.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.93 143.4 44.91 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.39 175.12 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.879 -0.601 . . . . 25.0 110.984 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.18 -174.1 3.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.228 -0.295 . . . . 25.0 110.498 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.31 -40.09 77.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.717 0.636 . . . . 25.0 112.717 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 30.2 tt0 -64.49 -40.7 96.17 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -33.36 72.99 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.449 175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.72 -43.88 87.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.441 -0.787 . . . . 25.0 110.536 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -63.77 -29.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 122.085 -0.385 . . . . 25.0 111.061 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.4 t -74.66 -36.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.23 -35.18 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.302 -0.249 . . . . 25.0 111.521 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.57 -33.85 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.359 -0.936 . . . . 25.0 108.879 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -20.8 62.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.076 -0.39 . . . . 25.0 111.49 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.45 74.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -38.21 69.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -43.45 80.33 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.285 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.538 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.5 m -71.93 -30.45 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.662 -1.215 . . . . 25.0 111.093 -176.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.06 60.78 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.75 -54.55 5.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -44.24 4.22 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -168.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -65.81 -20.96 66.44 Favored 'General case' 0 C--O 1.192 -1.958 0 CA-C-O 118.939 -0.553 . . . . 25.0 110.124 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 64.0 t80 -42.33 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.416 2.747 . . . . 25.0 118.416 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 75.0 m-85 -86.33 11.2 12.78 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.146 0.978 . . . . 25.0 110.782 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -55.6 -2.81 0.05 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.024 2.129 . . . . 25.0 115.872 -178.083 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -54.02 119.6 5.28 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -73.63 130.42 39.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.424 -0.807 . . . . 25.0 112.329 -165.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -176.665 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.484 0 N-CA-C 112.806 -0.118 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -87.78 144.26 26.71 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.3 -28.34 68.62 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.375 -0.828 . . . . 25.0 110.304 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -28.46 69.03 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.86 -29.01 32.69 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 119.722 -0.791 . . . . 25.0 112.103 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -22.13 66.89 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.24 -57.36 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.089 -0.959 . . . . 25.0 112.359 -175.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.84 -27.13 64.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.77 -32.6 73.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.459 0.647 . . . . 25.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -75.63 -38.92 58.56 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 122.066 -0.396 . . . . 25.0 110.947 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.21 -37.63 88.15 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.08 -40.0 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -43.4 76.14 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.221 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -86.46 -31.84 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.1 -57.53 8.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.301 1.048 . . . . 25.0 111.811 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -71.92 -16.02 62.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.135 -1.393 . . . . 25.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.45 69.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 25.0 110.314 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.49 5.35 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -65.15 155.83 33.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.892 0.853 . . . . 25.0 113.276 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.63 -4.15 59.56 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.461 -0.876 . . . . 25.0 113.764 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -64.37 -35.66 81.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.222 0.534 . . . . 25.0 110.049 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.83 -28.63 65.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.923 -1.035 . . . . 25.0 110.628 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -17.18 6.46 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.641 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -124.69 146.3 49.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.193 0.997 . . . . 25.0 111.967 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.533 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.09 -21.77 64.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 116.667 2.099 . . . . 25.0 116.667 -170.501 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 21.5 m-85 -114.38 21.45 14.61 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.646 0.736 . . . . 25.0 110.983 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -136.87 153.78 50.67 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 114.533 -1.212 . . . . 25.0 108.326 -172.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.6 mt -156.83 149.12 23.15 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 106.258 -1.756 . . . . 25.0 106.258 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 67.4 m -83.95 157.01 22.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.542 -0.911 . . . . 25.0 108.542 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -56.45 -39.98 74.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -56.2 -36.01 67.91 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.102 0.477 . . . . 25.0 111.938 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.35 -39.05 65.51 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 121.511 0.672 . . . . 25.0 110.621 -175.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -61.46 -37.58 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 25.0 110.751 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.72 -45.23 37.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.24 -28.47 66.37 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.4 96.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 25.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.65 -22.56 37.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.555 -0.716 . . . . 25.0 110.981 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -27.75 63.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.997 -0.371 . . . . 25.0 109.997 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -107.14 -44.81 4.28 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 116.775 2.139 . . . . 25.0 116.775 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.84 -63.38 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.065 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m 33.21 43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.272 1.582 . . . . 25.0 115.272 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.58 0.07 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.34 -0.457 . . . . 25.0 113.66 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -20.69 63.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.241 1.2 . . . . 25.0 114.241 -174.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.512 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.51 -23.73 67.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.412 176.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -98.86 -16.23 18.93 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.728 1.251 . . . . 25.0 109.053 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 2.6 28.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.36 -1.291 . . . . 25.0 110.926 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -79.88 121.94 26.04 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.158 0.504 . . . . 25.0 110.657 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -93.05 -30.06 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.243 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -74.51 97.23 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.377 0.608 . . . . 25.0 112.452 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.36 -34.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.194 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.04 -36.69 72.45 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.353 -0.939 . . . . 25.0 110.148 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.57 60.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.95 -35.65 75.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.481 -0.488 . . . . 25.0 110.986 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.25 -37.31 85.19 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 111.143 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -83.51 -33.18 25.58 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -81.43 -36.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 111.666 0.247 . . . . 25.0 111.666 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp -66.81 -38.23 86.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.789 -1.195 . . . . 25.0 109.542 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -73.51 -29.48 62.51 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.924 -0.71 . . . . 25.0 111.634 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.29 -48.87 71.63 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -30.85 71.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.939 0.399 . . . . 25.0 110.709 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.35 -34.42 74.57 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.582 -0.699 . . . . 25.0 112.29 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.1 -18.49 22.55 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.017 -0.427 . . . . 25.0 112.13 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -112.29 4.53 17.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.52 79.63 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 116.293 -0.412 . . . . 25.0 113.749 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.63 7.63 19.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.842 0.312 . . . . 25.0 111.842 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.53 -146.4 6.06 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 111.187 -0.765 . . . . 25.0 111.187 175.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.3 pt-20 -148.94 142.36 25.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -149.83 -178.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 122.6 0.36 . . . . 25.0 110.821 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -130.85 -174.21 3.3 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.783 -0.573 . . . . 25.0 111.86 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -56.62 -41.33 76.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.452 ' HB2' HG11 ' A' ' 83' ' ' VAL . 30.3 tt0 -64.28 -38.72 92.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 25.0 109.855 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.63 -31.16 69.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.784 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -67.58 -42.13 83.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.451 -0.781 . . . . 25.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.39 -41.54 81.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.161 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.67 -26.55 16.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 121.001 -1.062 . . . . 25.0 110.41 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.66 -29.41 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.131 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.8 -31.57 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.611 -1.236 . . . . 25.0 108.536 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -71.15 -20.64 62.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.01 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.69 -35.9 70.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -67.75 -44.85 76.54 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.4 m -68.06 -34.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.725 -0.79 . . . . 25.0 109.793 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.2 60.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.858 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.19 -48.31 10.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -111.43 -36.39 5.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -67.91 -20.91 65.14 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.47 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 79.9 t80 -40.9 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 117.652 2.464 . . . . 25.0 117.652 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -78.0 11.02 2.44 Favored 'General case' 0 CA--C 1.56 1.351 0 O-C-N 121.281 -0.887 . . . . 25.0 111.444 174.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.47 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -57.5 -24.21 54.57 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.38 -0.825 . . . . 25.0 112.574 176.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.71 103.11 13.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.556 1.169 . . . . 25.0 109.262 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -99.46 161.95 13.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.588 173.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--O 1.249 1.049 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 175.683 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.0 -0.84 . . . . 25.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -81.65 164.31 21.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.32 -24.08 43.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.261 0.553 . . . . 25.0 110.315 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -30.48 71.52 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.859 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.47 -30.77 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -22.35 66.18 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 122.313 1.054 . . . . 25.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.72 -57.83 9.93 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.938 -1.028 . . . . 25.0 112.862 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 ptp -58.75 -26.13 63.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.13 -34.73 78.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.238 0.542 . . . . 25.0 110.682 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.9 p -74.07 -39.13 63.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.233 0.539 . . . . 25.0 111.26 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.65 -36.64 84.91 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -63.16 -39.91 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.31 75.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.973 0.17 . . . . 25.0 110.963 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 m -83.68 -31.31 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-O 121.252 0.548 . . . . 25.0 112.275 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -66.75 -56.21 11.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.332 1.063 . . . . 25.0 111.446 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -74.14 -14.0 60.9 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.027 -1.442 . . . . 25.0 111.351 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -108.3 -9.58 15.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.767 1.766 . . . . 25.0 115.767 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.466 ' HA ' HD13 ' A' ' 28' ' ' LEU . 95.5 p -64.87 160.78 19.7 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.047 1.294 . . . . 25.0 112.125 -176.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -10.04 68.55 Favored Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.666 -0.697 . . . . 25.0 112.508 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -60.53 -42.09 95.78 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -103.56 41.7 1.25 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 124.858 2.266 . . . . 25.0 115.665 -172.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.6 -30.35 6.16 Favored Glycine 0 C--N 1.288 -2.094 0 CA-C-N 112.48 -2.145 . . . . 25.0 116.083 167.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.66 155.64 42.28 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.978 0.889 . . . . 25.0 113.377 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -73.56 -24.52 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.005 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.08 4.67 19.59 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.114 0.483 . . . . 25.0 111.493 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -115.83 149.92 37.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 19' ' ' SER . 13.8 tp -154.72 144.65 21.71 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 105.245 -2.132 . . . . 25.0 105.245 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 p -78.43 152.03 32.38 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.081 0.467 . . . . 25.0 111.909 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -57.19 -40.99 78.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.549 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -53.91 -42.89 69.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 28' ' ' LEU . 21.3 tp10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.222 0.534 . . . . 25.0 110.173 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.89 -38.5 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.848 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -63.9 -32.7 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.419 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -45.65 14.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.85 -31.69 72.78 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.235 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.22 94.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 110.098 -0.334 . . . . 25.0 110.098 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.26 -24.03 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.662 -0.815 . . . . 25.0 111.155 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -30.82 66.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.483 -0.192 . . . . 25.0 110.483 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.89 -45.08 7.1 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 -64.99 1.02 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -172.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m 44.61 32.63 0.79 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.701 1.371 . . . . 25.0 114.701 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.75 -52.99 0.07 OUTLIER Glycine 0 C--N 1.332 0.345 0 CA-C-O 121.896 0.72 . . . . 25.0 113.332 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -14.66 61.4 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -174.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.44 -25.12 67.87 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.328 175.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -93.55 -27.34 16.69 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.715 1.245 . . . . 25.0 108.636 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.28 -10.64 60.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.182 -1.372 . . . . 25.0 113.536 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -64.44 138.73 58.57 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.252 -0.28 . . . . 25.0 110.799 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -123.44 -25.94 4.32 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.219 -0.3 . . . . 25.0 111.689 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -81.48 87.01 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.97 -35.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.453 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.13 -31.31 72.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.28 0.562 . . . . 25.0 110.962 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -57.86 3.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.302 0.572 . . . . 25.0 109.809 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.38 -31.98 55.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.8 -45.3 86.86 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.299 -0.56 . . . . 25.0 109.68 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.57 70.73 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.316 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.8 t -79.17 -44.88 24.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.287 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.88 -36.6 82.67 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.451 -0.781 . . . . 25.0 110.405 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -21.46 59.75 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.484 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.94 -45.63 34.07 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 105.241 -2.133 . . . . 25.0 105.241 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.548 -1.205 . . . . 25.0 110.398 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.95 -36.41 84.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -83.0 -33.27 26.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.138 0.97 . . . . 25.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.69 6.9 44.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.464 -1.244 . . . . 25.0 113.313 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.69 -30.48 74.96 Favored Glycine 0 CA--C 1.504 -0.617 0 CA-C-N 115.879 -0.601 . . . . 25.0 113.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.46 0.51 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.49 -166.63 39.17 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -132.25 144.24 50.48 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.853 -1.174 . . . . 25.0 113.364 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 m -148.58 -179.07 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 25.0 108.821 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -129.06 -174.17 3.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -55.85 -38.32 69.92 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.35 -36.9 85.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.31 -39.73 89.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.358 174.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.73 -44.02 91.5 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.238 -0.914 . . . . 25.0 110.292 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -32.3 55.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 O-C-N 122.228 -0.295 . . . . 25.0 111.72 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.1 -26.33 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.338 -0.851 . . . . 25.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -29.57 69.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -82.64 -33.52 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 118.71 -1.196 . . . . 25.0 109.164 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -20.66 63.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.829 -0.544 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.422 0.629 . . . . 25.0 109.502 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 mt -75.32 -36.06 61.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -46.45 77.08 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.904 0.383 . . . . 25.0 111.788 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.61 -32.78 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 119.77 -0.772 . . . . 25.0 111.113 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 -29.56 57.55 Favored 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 20.9 t -81.59 -54.92 5.01 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.13 -45.46 5.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.978 0.894 . . . . 25.0 113.24 -168.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -72.0 -20.62 61.69 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 34.1 t80 -40.27 -16.4 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.745 2.498 . . . . 25.0 117.745 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.25 11.01 7.18 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.84 0.856 . . . . 25.0 111.646 173.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.465 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.12 -3.17 0.08 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 126.35 1.86 . . . . 25.0 115.72 -176.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.87 126.36 26.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 168.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.37 123.52 18.47 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.459 -0.896 . . . . 25.0 111.187 -169.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 114.399 -1.273 . . . . 25.0 108.595 -176.615 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.359 0 N-CA-C 110.84 -0.904 . . . . 25.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -96.39 152.02 19.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.04 -39.72 87.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.476 0.655 . . . . 25.0 109.797 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.71 -31.1 72.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.96 -25.53 37.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.491 -0.755 . . . . 25.0 111.647 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.7 m -69.44 -22.17 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.491 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.01 -54.9 32.77 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ptp -59.74 -26.01 65.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.05 -33.88 75.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.6 0.715 . . . . 25.0 110.449 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.0 p -74.34 -39.54 62.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.893 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -35.92 82.69 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.87 -39.61 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -44.79 78.03 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.347 -176.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -85.02 -32.43 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.7 -57.99 6.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.742 1.258 . . . . 25.0 111.311 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.79 -14.98 62.14 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.445 -1.707 . . . . 25.0 110.543 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.49 74.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -102.93 -3.57 25.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -65.86 159.88 24.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -171.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.14 10.62 41.76 Favored Glycine 0 C--O 1.22 -0.723 0 CA-C-N 114.953 -1.021 . . . . 25.0 112.639 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -80.73 -28.29 36.6 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.717 -0.284 . . . . 25.0 110.903 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -26.7 55.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 171.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.28 -29.56 4.52 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.17 -1.35 . . . . 25.0 115.14 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -103.0 155.21 18.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 119.781 1.79 . . . . 25.0 113.116 175.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -23.09 64.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -172.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -111.62 15.93 20.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 25.0 111.295 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.17 151.41 50.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.555 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 28' ' ' LEU . 5.0 mt -154.12 164.29 38.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 99.0 p -86.01 158.48 19.84 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -62.06 -41.56 98.27 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.661 0.267 . . . . 25.0 111.44 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.1 -36.35 72.76 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 121.113 0.482 . . . . 25.0 111.391 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -38.95 85.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.328 0.585 . . . . 25.0 110.795 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -37.21 83.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.263 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.65 -40.29 91.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.358 . . . . 25.0 110.861 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.57 -38.01 35.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.11 -29.57 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.302 -0.874 . . . . 25.0 110.118 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.88 -43.63 95.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.904 -0.498 . . . . 25.0 110.328 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.98 -22.62 42.34 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.997 -0.681 . . . . 25.0 111.18 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -27.99 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.528 0.204 . . . . 25.0 111.217 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.99 -44.89 5.35 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.68 0.993 . . . . 25.0 113.68 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.38 -61.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.877 -174.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.75 29.79 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.41 -52.4 0.08 OUTLIER Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.553 0.529 . . . . 25.0 113.325 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.2 m-85 -71.41 -16.48 62.4 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 -175.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.97 -25.1 67.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.184 -0.916 . . . . 25.0 109.654 175.192 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -99.83 -26.44 14.02 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.841 1.305 . . . . 25.0 109.029 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -71.12 -5.02 28.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.394 -1.276 . . . . 25.0 113.022 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HB3' HG11 ' B' ' 54' ' ' VAL . 53.0 mt-30 -64.41 141.58 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.348 0.259 . . . . 25.0 111.484 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -129.47 -24.31 2.8 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.423 ' H ' ' HB1' ' B' ' 84' ' ' ALA . 66.7 t0 -79.88 90.75 5.32 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 174.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.7 -36.16 75.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.299 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.61 -31.21 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.272 0.558 . . . . 25.0 111.141 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.72 -57.79 3.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.563 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' B' ' 48' ' ' GLN . 26.8 m -65.97 -30.41 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 N-CA-C 113.854 1.057 . . . . 25.0 113.854 -170.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.53 -44.34 91.16 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.36 73.16 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.328 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.53 -43.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.365 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.6 mtp -65.68 -41.01 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.686 -0.634 . . . . 25.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -26.12 64.47 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 119.942 -0.703 . . . . 25.0 111.547 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -74.53 -47.0 35.44 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -36.55 84.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.062 0.458 . . . . 25.0 110.313 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.33 -31.08 71.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.18 -11.79 25.62 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.3 10.51 11.99 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.77 68.1 Favored Glycine 0 C--O 1.227 -0.309 0 N-CA-C 114.637 0.615 . . . . 25.0 114.637 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -86.39 7.84 24.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.065 0.433 . . . . 25.0 111.985 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.56 -156.74 25.49 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.133 -1.987 . . . . 25.0 108.133 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -138.46 148.86 44.84 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.78 -179.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.614 -1.175 . . . . 25.0 109.741 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.33 -174.31 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.92 -42.2 79.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.28 -40.59 94.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.511 -0.551 . . . . 25.0 109.511 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -29.92 68.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 25.0 111.544 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -66.58 -41.29 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.669 -0.812 . . . . 25.0 109.183 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.18 -38.06 75.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.938 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.15 -37.32 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.44 -35.91 82.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.265 -0.425 . . . . 25.0 112.063 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.66 -31.19 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.527 -0.869 . . . . 25.0 109.156 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.71 -20.6 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.3 68.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.09 54.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.51 -46.71 75.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.16 -35.04 74.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.569 -177.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB1' ' H ' ' B' ' 50' ' ' ASP . . . -76.03 -32.78 59.52 Favored 'General case' 0 C--O 1.201 -1.467 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.419 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.5 -44.96 33.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -108.38 -51.18 2.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.66 -21.0 64.47 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.646 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.9 p90 -46.34 -15.86 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.174 2.657 . . . . 25.0 118.174 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -79.43 10.96 3.28 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.114 0.565 . . . . 25.0 111.282 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.646 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -57.57 -12.42 2.76 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 178.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.93 159.6 22.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.362 0.601 . . . . 25.0 110.254 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 25.0 110.745 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.253 1.245 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 178.64 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.839 0 N-CA-C 111.457 -0.657 . . . . 25.0 111.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -105.76 171.89 7.09 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -30.11 61.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -26.95 68.94 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.61 -25.19 49.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.162 0.506 . . . . 25.0 111.632 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -22.24 52.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.65 0.738 . . . . 25.0 109.578 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.42 -58.08 7.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.488 -0.778 . . . . 25.0 112.702 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -33.63 65.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.64 -34.75 74.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.863 0.363 . . . . 25.0 111.677 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 59.0 p -71.69 -38.76 70.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 25.0 110.888 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.44 -37.27 84.79 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.1 -38.04 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -47.03 76.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.973 0.171 . . . . 25.0 111.1 -178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.23 -31.86 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.288 0.566 . . . . 25.0 112.15 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -65.91 -59.03 4.25 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 122.688 1.232 . . . . 25.0 110.78 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -72.11 -15.12 61.99 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.425 -1.716 . . . . 25.0 111.117 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -40.37 85.35 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.038 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -94.89 -8.93 35.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -63.9 156.39 27.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.201 1.556 . . . . 25.0 115.201 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.83 -5.92 43.55 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.768 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -61.34 -40.77 95.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.302 0.572 . . . . 25.0 109.895 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -106.33 41.86 1.36 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 124.845 2.259 . . . . 25.0 115.548 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.09 -30.86 7.55 Favored Glycine 0 C--N 1.289 -2.076 0 CA-C-N 112.321 -2.218 . . . . 25.0 114.753 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -137.69 160.46 39.16 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -11.13 50.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -105.99 8.88 32.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -132.03 161.54 32.94 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.96 168.46 26.7 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 153.84 17.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -55.89 -39.52 71.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.182 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -56.51 -42.43 78.38 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.66 -39.25 93.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.04 -0.527 . . . . 25.0 111.196 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -61.33 -39.55 90.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 25.0 109.723 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -45.42 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -175.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.03 -32.63 74.22 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.04 0.448 . . . . 25.0 110.096 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.97 -49.55 69.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.821 -0.549 . . . . 25.0 109.863 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.14 -24.42 57.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.692 -0.803 . . . . 25.0 111.125 -172.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.08 63.65 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.124 0.265 . . . . 25.0 110.378 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.21 -43.09 8.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.422 0.629 . . . . 25.0 111.842 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -64.46 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m 43.04 36.21 0.89 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.7 -49.73 0.06 OUTLIER Glycine 0 C--N 1.334 0.455 0 CA-C-O 121.653 0.585 . . . . 25.0 113.162 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -18.97 63.05 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -176.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.113 -0.949 . . . . 25.0 109.498 177.629 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.17 -26.74 19.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.709 1.242 . . . . 25.0 108.786 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.74 -9.28 58.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.321 -1.308 . . . . 25.0 112.672 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -73.8 117.93 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -108.91 -17.4 13.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.123 -0.361 . . . . 25.0 111.769 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -83.58 93.98 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.209 0.528 . . . . 25.0 110.816 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -34.68 66.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.418 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.46 -32.83 71.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.86 -0.736 . . . . 25.0 111.294 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 -52.64 17.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 25.0 109.823 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.94 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.808 -0.357 . . . . 25.0 111.542 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.44 -36.71 85.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.248 0.547 . . . . 25.0 110.532 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -83.43 -32.25 26.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 25.0 111.635 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.6 -38.34 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 116.563 -0.29 . . . . 25.0 111.762 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 mmt -68.29 -35.8 78.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.986 -1.086 . . . . 25.0 109.851 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -72.34 -29.42 63.79 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.401 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.43 -45.05 77.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 106.585 -1.635 . . . . 25.0 106.585 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -29.23 70.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.458 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.3 -38.78 75.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.159 0.504 . . . . 25.0 111.369 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.61 -35.65 45.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 122.206 1.003 . . . . 25.0 110.642 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -103.93 5.15 35.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 25.0 114.115 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.17 -31.59 69.58 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 121.827 -0.225 . . . . 25.0 113.636 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -83.53 0.45 46.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 -178.98 41.91 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 107.302 -2.319 . . . . 25.0 107.302 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -119.1 143.88 46.92 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 112.951 -1.625 . . . . 25.0 112.491 -172.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.85 -178.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.875 -1.057 . . . . 25.0 109.774 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.31 -174.14 3.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.27 -0.269 . . . . 25.0 110.318 -174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -65.79 -37.58 86.68 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.72 -33.32 70.73 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.339 -0.544 . . . . 25.0 110.49 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.25 -43.84 85.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.034 -1.041 . . . . 25.0 109.947 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -64.66 -29.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.8 -28.23 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.159 -0.963 . . . . 25.0 109.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.56 -29.32 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.08 -33.57 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 118.884 -1.126 . . . . 25.0 109.461 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.03 -20.68 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.753 -0.592 . . . . 25.0 111.351 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.7 73.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.458 0.647 . . . . 25.0 109.754 174.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -36.07 70.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 m -67.23 -45.01 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.992 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.21 -31.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 119.883 -0.727 . . . . 25.0 110.52 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.45 64.68 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.0 t -84.65 -51.52 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.659 0.743 . . . . 25.0 112.9 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.75 -38.97 7.64 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.956 1.465 . . . . 25.0 114.956 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -18.9 62.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.897 -0.502 . . . . 25.0 109.878 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -40.72 -25.42 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.249 2.314 . . . . 25.0 117.249 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -78.12 11.06 2.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -20.58 61.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.386 0.674 . . . . 25.0 111.813 173.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 128.23 34.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.59 0.709 . . . . 25.0 110.009 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -94.47 77.99 3.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.889 1.328 . . . . 25.0 109.942 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.307 -1.281 0 CA-C-N 113.082 -1.872 . . . . 25.0 114.001 178.325 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.271 0 N-CA-C 111.139 -0.784 . . . . 25.0 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -74.24 151.57 39.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 25.0 110.165 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.07 -40.72 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.039 0.447 . . . . 25.0 110.436 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -30.5 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.74 0.645 . . . . 25.0 112.74 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.0 -24.77 35.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 120.165 -0.614 . . . . 25.0 112.235 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -71.49 -20.35 62.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.74 -53.17 58.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -32.57 69.76 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.21 0.459 . . . . 25.0 111.706 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.74 -33.38 70.18 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.845 0.458 . . . . 25.0 111.691 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 52.2 p -72.72 -39.51 66.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.87 -0.519 . . . . 25.0 110.841 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.49 80.5 Favored 'General case' 0 C--O 1.207 -1.149 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.81 -39.42 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -45.99 80.15 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.273 0.358 . . . . 25.0 111.161 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.81 -30.98 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -66.24 -60.56 2.67 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.301 1.048 . . . . 25.0 110.612 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -70.77 -15.35 62.67 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.939 -1.482 . . . . 25.0 111.618 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.88 74.42 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.02 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -115.88 5.02 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -76.15 166.51 23.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.458 1.281 . . . . 25.0 114.458 -173.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.15 0.58 55.96 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.549 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.82 -41.78 95.48 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -98.94 41.91 1.12 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 124.936 2.303 . . . . 25.0 115.226 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.55 -30.82 6.55 Favored Glycine 0 C--N 1.289 -2.08 0 CA-C-N 112.557 -2.11 . . . . 25.0 115.139 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -137.44 156.29 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.619 0.709 . . . . 25.0 112.728 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -16.66 58.89 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -175.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.79 5.03 49.66 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -127.26 156.84 41.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.657 -1.238 . . . . 25.0 107.657 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 3.5 mt -157.22 157.77 34.95 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.187 -1.782 . . . . 25.0 106.187 175.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -81.0 153.39 27.46 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -58.09 -40.49 81.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.208 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.67 -39.14 90.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.58 -39.1 88.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.506 0.669 . . . . 25.0 109.524 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.29 -38.91 92.73 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.63 -0.713 . . . . 25.0 110.06 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.43 -36.24 83.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.681 0.276 . . . . 25.0 110.287 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -46.47 44.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -177.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.38 -30.6 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.237 -0.585 . . . . 25.0 110.481 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.71 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.935 -0.478 . . . . 25.0 110.206 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.25 -22.41 41.74 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.926 -0.71 . . . . 25.0 111.033 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.3 57.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 25.0 110.56 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.95 -45.12 6.4 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.882 1.068 . . . . 25.0 113.882 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -66.1 0.93 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.774 -173.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.1 t 40.38 41.48 1.05 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.19 -43.89 0.07 OUTLIER Glycine 0 C--O 1.223 -0.563 0 N-CA-C 112.088 -0.405 . . . . 25.0 112.088 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -70.82 -18.07 62.74 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.207 0.817 . . . . 25.0 113.207 -176.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.9 -21.9 66.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.404 175.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.34 -26.67 12.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.054 0.93 . . . . 25.0 109.544 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -73.39 -26.01 60.8 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.398 -177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -64.84 147.31 53.49 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.226 1.01 . . . . 25.0 111.139 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -128.94 -34.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.17 94.28 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.934 0.397 . . . . 25.0 110.695 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.93 -35.21 72.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.653 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.99 -31.53 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.316 0.579 . . . . 25.0 111.09 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.63 -56.72 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.002 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.49 -33.31 62.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -171.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.38 -46.07 84.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.444 0.64 . . . . 25.0 110.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.37 70.97 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.903 -175.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.508 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.7 mmt -65.28 -40.09 93.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.435 -0.79 . . . . 25.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -74.18 -19.18 60.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.106 -0.637 . . . . 25.0 111.701 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -76.28 -47.43 23.77 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 105.21 -2.145 . . . . 25.0 105.21 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -32.93 72.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.984 -1.007 . . . . 25.0 111.306 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.4 -39.93 89.32 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.448 -0.501 . . . . 25.0 112.228 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -84.22 -29.97 26.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.824 0.821 . . . . 25.0 111.417 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -101.87 7.24 41.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.144 -0.934 . . . . 25.0 112.911 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.64 65.9 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 119.883 -0.399 . . . . 25.0 114.084 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.09 4.56 33.56 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.485 0.314 . . . . 25.0 111.64 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.04 -170.68 39.94 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.663 -2.575 . . . . 25.0 106.663 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.63 149.29 52.55 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -144.68 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.432 -1.258 . . . . 25.0 108.397 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.97 -174.13 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -57.67 -41.63 81.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.739 0.304 . . . . 25.0 111.211 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -66.1 -41.67 90.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.434 HG12 HG13 ' A' ' 75' ' ' VAL . 67.6 t -60.49 -37.7 75.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.408 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.3 -38.22 73.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.43 -38.05 89.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.238 -0.437 . . . . 25.0 111.695 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -76.63 -28.59 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.614 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.53 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.995 -0.441 . . . . 25.0 112.096 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.45 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -78.15 -33.91 50.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.633 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.2 m -66.52 -46.39 76.36 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.51 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.839 -0.801 . . . . 25.0 108.839 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.24 73.45 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 116.33 -0.396 . . . . 25.0 111.241 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.85 -44.37 23.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -105.07 -49.74 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -171.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.83 -16.28 61.14 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.612 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 6.1 p90 -47.19 -15.59 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.376 2.361 . . . . 25.0 117.376 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -78.37 10.93 2.69 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.604 0.762 . . . . 25.0 111.351 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.51 -15.53 50.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.52 0.728 . . . . 25.0 112.207 176.355 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -67.65 138.49 56.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.512 0.672 . . . . 25.0 110.543 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.3 132.18 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.46 -0.781 . . . . 25.0 110.952 -178.342 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.889 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.273 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -105.33 -179.42 3.94 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.85 -26.9 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -28.84 70.32 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.55 -22.86 40.4 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.804 0.729 . . . . 25.0 112.17 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -22.16 62.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.349 0.595 . . . . 25.0 110.573 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -58.75 6.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -32.96 63.6 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.49 -36.38 71.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.154 0.502 . . . . 25.0 111.638 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 42.7 p -73.36 -39.96 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.551 . . . . 25.0 111.43 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -36.19 82.85 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.61 -38.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.91 78.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.855 0.097 . . . . 25.0 111.255 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.25 -31.32 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.17 0.509 . . . . 25.0 112.26 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -71.01 -54.96 9.36 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 122.551 1.167 . . . . 25.0 111.439 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.31 -14.03 62.07 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 113.609 -1.632 . . . . 25.0 110.546 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.95 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -101.83 -13.79 17.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.5 p -63.93 154.06 35.06 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.359 -0.838 . . . . 25.0 109.807 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.2 -16.56 58.03 Favored Glycine 0 C--O 1.224 -0.522 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.37 -31.58 72.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -77.48 -25.59 50.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.593 0.711 . . . . 25.0 110.905 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.5 -26.06 5.26 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-O 119.524 -0.598 . . . . 25.0 114.063 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.42 153.42 33.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.015 0.908 . . . . 25.0 111.43 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -113.46 5.04 16.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.765 0.283 . . . . 25.0 111.765 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.22 148.47 43.63 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.559 0.695 . . . . 25.0 110.085 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -155.89 149.55 25.03 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 106.981 -1.489 . . . . 25.0 106.981 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 96.3 p -75.29 151.94 38.27 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.908 -177.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -59.25 -43.84 92.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.94 -0.304 . . . . 25.0 111.246 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -55.56 -39.22 70.36 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.81 -36.52 83.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 25.0 111.137 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.39 -37.11 85.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.205 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.62 -32.78 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.269 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.47 -47.39 23.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.601 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.22 -29.98 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.828 -0.545 . . . . 25.0 110.83 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -44.43 94.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.941 -0.474 . . . . 25.0 109.88 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -80.25 -22.42 41.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.85 -0.74 . . . . 25.0 111.361 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -27.77 60.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.569 0.211 . . . . 25.0 111.569 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.82 -44.97 5.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.955 0.724 . . . . 25.0 112.955 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -62.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -172.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.1 p 44.53 34.37 1.09 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.884 1.438 . . . . 25.0 114.884 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.07 -48.65 0.06 OUTLIER Glycine 0 C--O 1.224 -0.479 0 CA-C-O 121.779 0.655 . . . . 25.0 112.891 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -12.26 60.53 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 121.676 -0.896 . . . . 25.0 113.384 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.68 -24.42 67.0 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.232 -0.894 . . . . 25.0 108.985 175.508 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -86.91 -36.53 18.33 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.3 19.37 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.404 -1.725 . . . . 25.0 114.259 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.6 mt-30 -74.45 114.03 12.37 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.903 -0.498 . . . . 25.0 109.929 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -107.05 -19.32 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.268 -0.27 . . . . 25.0 111.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -84.3 83.25 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -34.66 68.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.579 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.15 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.261 0.553 . . . . 25.0 110.983 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -58.64 3.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 48' ' ' GLN . 21.9 m -66.71 -29.4 46.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -172.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.12 -41.93 99.44 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -32.08 64.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.963 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.65 -41.0 17.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 122.712 0.405 . . . . 25.0 111.261 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 92.4 mtp -64.5 -39.79 94.45 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.221 -0.924 . . . . 25.0 109.322 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -72.21 -29.24 63.78 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.219 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.76 -44.86 84.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 106.253 -1.758 . . . . 25.0 106.253 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -29.45 70.69 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.707 -1.133 . . . . 25.0 110.559 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -71.95 -34.87 69.36 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.359 -0.838 . . . . 25.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -79.72 -36.5 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.3 1.048 . . . . 25.0 110.389 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -101.72 3.55 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.168 -1.378 . . . . 25.0 113.336 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.4 -27.83 70.09 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.62 -0.718 . . . . 25.0 114.284 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.76 -1.71 39.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.459 0.153 . . . . 25.0 111.335 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.08 -171.38 32.49 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 108.696 -1.762 . . . . 25.0 108.696 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -130.79 150.03 52.15 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 113.361 -1.419 . . . . 25.0 114.48 -171.106 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.13 -179.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 113.965 -1.471 . . . . 25.0 111.041 -170.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.92 -174.22 3.25 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -56.94 -39.54 74.72 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.37 -35.91 81.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.81 -34.46 75.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.319 0.58 . . . . 25.0 110.68 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -69.83 -44.59 69.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.515 -0.741 . . . . 25.0 111.048 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -31.63 51.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.883 -0.51 . . . . 25.0 112.12 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -81.69 -27.4 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.111 -0.993 . . . . 25.0 110.208 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.78 -29.45 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.51 -33.14 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 118.876 -1.13 . . . . 25.0 109.494 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.83 63.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.808 -0.557 . . . . 25.0 111.441 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.32 72.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 25.0 109.29 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.93 -34.27 62.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.13 -45.99 75.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.69 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.12 -33.66 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.532 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.14 -27.31 61.59 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 122.169 -0.332 . . . . 25.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.53 -54.64 4.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.023 0.916 . . . . 25.0 112.675 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -96.6 -46.44 6.32 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 114.484 -1.234 . . . . 25.0 113.528 -168.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.318 39.7 m-20 -69.21 -20.61 63.97 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.698 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 23.9 t80 -42.39 -17.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -175.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -82.7 10.05 8.36 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-O 121.39 0.614 . . . . 25.0 111.437 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.412 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -57.2 -13.93 3.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 177.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.1 142.54 57.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.472 0.653 . . . . 25.0 110.04 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -72.47 128.21 34.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.618 0.723 . . . . 25.0 110.241 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.319 -0.736 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 -174.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.422 0 N-CA-C 114.046 0.379 . . . . 25.0 114.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -74.6 155.89 37.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.38 -42.32 75.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.485 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -33.61 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.68 -22.65 50.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.006 0.743 . . . . 25.0 113.006 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -72.01 -22.12 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.43 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -51.27 -55.7 16.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -30.91 65.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.38 -29.94 70.23 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 122.808 0.443 . . . . 25.0 111.759 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -80.48 -34.27 35.97 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.093 -0.643 . . . . 25.0 111.337 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.407 HG13 ' CE1' ' B' ' 71' ' ' PHE . 22.4 mt -61.62 -41.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -45.16 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.204 0.315 . . . . 25.0 111.294 -176.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.55 -30.86 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.24 -55.41 10.64 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-O 122.451 1.12 . . . . 25.0 110.47 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -72.3 -14.38 61.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.739 -1.573 . . . . 25.0 111.984 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.88 82.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -103.94 -12.2 16.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -62.72 149.91 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.269 -0.894 . . . . 25.0 110.743 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.29 -12.92 60.22 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.536 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -65.63 -29.25 69.8 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.556 -0.379 . . . . 25.0 110.368 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -78.4 -25.59 46.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.508 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -23.26 5.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-O 119.269 -0.739 . . . . 25.0 114.327 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.4 154.09 35.61 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.342 1.071 . . . . 25.0 112.23 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -24.23 64.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -108.11 8.24 28.02 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.858 0.361 . . . . 25.0 111.181 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -123.05 148.58 45.43 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 121.448 0.642 . . . . 25.0 111.91 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -156.78 144.32 19.07 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -71.87 152.64 42.45 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.327 -0.233 . . . . 25.0 111.35 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -55.61 -46.54 77.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -55.98 -40.9 73.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.15 -37.47 87.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.33 0.586 . . . . 25.0 111.405 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.59 -37.29 87.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.281 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.06 -31.64 71.43 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.89 -48.08 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.367 0.267 . . . . 25.0 111.334 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.2 -29.79 66.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.667 -0.645 . . . . 25.0 111.072 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.616 -0.677 . . . . 25.0 110.446 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -80.75 -23.05 39.66 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.628 -0.67 . . . . 25.0 110.539 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -32.71 51.9 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.609 -0.269 . . . . 25.0 111.64 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.34 -44.86 6.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -60.38 1.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.067 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 46.77 27.82 0.73 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.95 -55.11 0.09 OUTLIER Glycine 0 C--N 1.333 0.391 0 CA-C-O 121.442 0.468 . . . . 25.0 113.041 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -21.4 63.75 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 114.452 1.279 . . . . 25.0 114.452 -174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.519 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -60.55 -26.18 66.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.943 176.085 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -99.83 -20.9 15.96 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.558 1.171 . . . . 25.0 109.44 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -13.71 62.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.59 -1.187 . . . . 25.0 111.551 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.01 144.1 57.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.849 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -127.54 -25.18 3.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.198 0.599 . . . . 25.0 112.518 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -72.73 96.83 2.09 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.962 0.41 . . . . 25.0 110.241 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.22 -36.15 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.396 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.77 -37.57 76.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.196 -1.002 . . . . 25.0 109.913 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.52 62.23 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.49 -36.72 78.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.619 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.02 -46.9 79.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.921 0.391 . . . . 25.0 110.435 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.19 -32.49 59.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.12 -40.09 21.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.88 -0.146 . . . . 25.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.8 -41.89 91.35 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 118.926 -1.11 . . . . 25.0 109.578 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -70.72 -24.99 62.75 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.256 -0.577 . . . . 25.0 111.686 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.38 -50.18 48.56 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -32.52 73.93 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.165 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -67.83 -34.18 76.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -84.56 -32.89 23.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.91 0.862 . . . . 25.0 111.133 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -102.41 7.83 40.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.039 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.64 -32.87 61.92 Favored Glycine 0 C--N 1.321 -0.299 0 N-CA-C 115.494 0.958 . . . . 25.0 115.494 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -81.39 2.56 27.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.067 0.434 . . . . 25.0 111.541 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.67 -163.88 39.78 Favored Glycine 0 N--CA 1.438 -1.219 0 N-CA-C 109.267 -1.533 . . . . 25.0 109.267 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -131.69 146.18 52.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.047 -1.077 . . . . 25.0 113.462 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.03 178.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.556 0.742 . . . . 25.0 109.72 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.01 -175.02 3.64 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.851 -0.53 . . . . 25.0 110.569 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.407 ' CE1' HG13 ' B' ' 12' ' ' ILE . 71.0 t80 -58.2 -42.2 85.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.78 -41.98 98.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.86 -33.79 75.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.43 -0.908 . . . . 25.0 111.443 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.79 -41.67 99.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.145 -0.622 . . . . 25.0 109.51 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.27 -39.43 78.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.83 -35.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.61 -36.14 80.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.784 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -76.09 -29.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.54 -0.864 . . . . 25.0 108.795 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.98 -20.93 60.19 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.818 -0.551 . . . . 25.0 111.327 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -34.2 75.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -35.59 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -67.17 -48.11 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.162 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.73 -33.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.283 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.03 -25.93 59.1 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.624 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.18 -54.57 4.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.367 0.603 . . . . 25.0 112.52 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -104.71 -32.2 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -166.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.41 -20.99 35.98 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.978 -0.378 . . . . 25.0 109.978 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.584 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 63.5 t80 -40.79 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.681 2.845 . . . . 25.0 118.681 177.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -82.97 10.59 7.59 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 123.768 0.827 . . . . 25.0 111.211 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -57.54 -18.26 18.26 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.031 0.933 . . . . 25.0 112.903 174.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.09 170.02 12.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -86.61 150.82 23.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.894 -0.593 . . . . 25.0 109.543 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.249 1.034 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 178.07 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.103 0 CA-C-O 119.257 -0.746 . . . . 25.0 111.392 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -93.88 173.22 7.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.431 -0.951 . . . . 25.0 108.431 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.72 -28.69 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 116.839 2.162 . . . . 25.0 116.839 -171.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.744 -0.598 . . . . 25.0 111.333 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.7 -25.12 35.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 119.31 -0.956 . . . . 25.0 111.983 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -22.4 66.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 25.0 110.188 174.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.83 -52.08 65.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptp -61.2 -25.4 67.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.47 -33.35 75.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.228 0.537 . . . . 25.0 110.543 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.3 p -73.17 -38.37 66.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.123 0.487 . . . . 25.0 110.937 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.52 -37.07 86.26 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.76 -38.5 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.64 -48.21 72.55 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.033 0.208 . . . . 25.0 110.871 -179.073 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 ' ND2' ' A' ' 13' ' ' ASN . 33.7 m -82.99 -30.93 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.192 0.52 . . . . 25.0 112.148 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.61 -57.71 7.5 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 122.427 1.108 . . . . 25.0 110.801 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.64 -17.03 61.7 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.87 -1.513 . . . . 25.0 110.823 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.5 78.08 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.887 -0.725 . . . . 25.0 109.114 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -103.99 -3.73 24.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.544 ' HA ' HD13 ' A' ' 28' ' ' LEU . 60.7 p -72.07 167.18 20.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.62 0.724 . . . . 25.0 112.155 -174.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.29 68.46 Favored Glycine 0 CA--C 1.51 -0.268 0 C-N-CA 120.758 -0.734 . . . . 25.0 111.75 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -62.32 -43.3 99.15 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -102.57 41.63 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.783 2.23 . . . . 25.0 115.729 -172.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -30.81 6.53 Favored Glycine 0 C--N 1.287 -2.183 0 CA-C-N 112.73 -2.032 . . . . 25.0 114.909 168.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.59 165.15 25.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.283 0.541 . . . . 25.0 110.508 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 64.8 pttt -93.01 -20.84 20.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 26.1 m-85 -90.54 -14.25 32.98 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.997 0.903 . . . . 25.0 108.62 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -111.93 155.68 23.31 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 113.8 -1.545 . . . . 25.0 107.689 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 19' ' ' SER . 15.9 tp -160.15 149.36 17.53 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -80.73 150.92 29.11 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.381 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 69' ' ' VAL . 32.8 mttm -57.02 -38.04 72.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.772 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -54.83 -41.72 71.05 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.65 -40.19 69.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.226 0.536 . . . . 25.0 110.218 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.59 -39.62 94.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.346 0.593 . . . . 25.0 110.77 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.02 -34.15 77.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.207 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -77.25 -44.41 29.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.74 -30.67 69.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.773 -0.58 . . . . 25.0 110.258 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.25 -43.59 97.57 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.97 -23.11 38.99 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.993 -0.683 . . . . 25.0 111.31 -175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -29.16 61.23 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.164 0.29 . . . . 25.0 111.726 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.19 -44.95 5.79 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -62.8 1.57 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.74 -173.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m 46.84 28.89 0.9 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.625 1.343 . . . . 25.0 114.625 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.77 -53.88 0.07 OUTLIER Glycine 0 C--N 1.332 0.309 0 CA-C-O 121.815 0.675 . . . . 25.0 113.305 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.63 -14.58 61.63 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.11 -24.87 67.85 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.139 -0.937 . . . . 25.0 109.308 175.049 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.5 -29.23 14.01 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.687 1.232 . . . . 25.0 108.998 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.39 52.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.234 . . . . 25.0 113.658 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -63.66 140.09 58.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.427 -0.212 . . . . 25.0 110.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.94 -25.03 3.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -79.96 89.31 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.37 -34.69 65.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.734 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.68 -36.8 76.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.332 -0.947 . . . . 25.0 110.702 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -53.93 42.2 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.89 -31.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.211 0.529 . . . . 25.0 110.102 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -76.23 -27.69 56.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.141 -0.482 . . . . 25.0 112.096 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.8 -42.15 17.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 122.375 0.27 . . . . 25.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.77 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.448 -0.782 . . . . 25.0 109.783 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -23.87 60.18 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 119.847 -0.741 . . . . 25.0 111.925 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -74.63 -44.68 49.34 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -34.79 75.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.065 -0.97 . . . . 25.0 110.429 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.97 -36.36 83.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.04 0.448 . . . . 25.0 111.938 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -84.1 -32.72 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.265 1.031 . . . . 25.0 111.662 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -103.87 4.99 35.48 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.208 -1.36 . . . . 25.0 113.823 -169.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.86 76.88 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 116.336 -0.393 . . . . 25.0 113.778 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.55 5.17 40.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.72 -163.6 39.52 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.96 146.3 40.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.449 -0.875 . . . . 25.0 112.004 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 30' ' ' LYS . 15.4 m -148.55 -178.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.244 -1.344 . . . . 25.0 108.795 -173.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.53 -174.17 3.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.296 0.498 . . . . 25.0 111.655 -174.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.83 -39.85 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.0 -36.76 85.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.75 -37.42 76.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 110.188 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -65.37 -43.0 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 25.0 111.531 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -62.97 -28.76 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 O-C-N 121.768 -0.582 . . . . 25.0 111.471 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.98 -36.88 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.1 -36.73 82.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.289 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -76.35 -34.14 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.105 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.56 62.81 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.72 71.82 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.59 -34.91 62.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -46.93 72.88 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -67.22 -33.99 66.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.141 -0.623 . . . . 25.0 110.185 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.36 66.67 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.896 -0.409 . . . . 25.0 109.896 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -79.17 -55.53 5.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -95.21 -44.57 7.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.37 -0.832 . . . . 25.0 113.006 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.48 -0.04 44.6 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.409 -171.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 43.7 t80 -53.45 -16.5 1.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.214 1.931 . . . . 25.0 116.214 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -84.53 9.68 12.94 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.581 0.752 . . . . 25.0 111.545 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.404 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -57.07 -9.54 0.91 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.35 1.241 . . . . 25.0 114.35 176.64 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -62.33 147.77 47.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 25.0 110.037 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -94.72 116.37 28.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.225 1.012 . . . . 25.0 109.414 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.312 -1.037 0 CA-C-N 113.408 -1.724 . . . . 25.0 114.861 -173.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.349 0 CA-C-O 120.293 -0.17 . . . . 25.0 112.684 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -74.02 150.05 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.52 0.676 . . . . 25.0 110.448 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -35.72 81.76 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -31.29 71.87 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.417 0.895 . . . . 25.0 113.417 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.24 -26.93 32.79 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.556 -0.715 . . . . 25.0 110.796 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.5 m -69.86 -22.65 63.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.556 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.39 -54.3 45.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.428 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.0 ptp -61.8 -24.02 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.36 -31.23 72.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.595 0.712 . . . . 25.0 110.378 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 38.9 p -75.77 -39.73 56.56 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -35.75 81.94 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.53 -41.49 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -43.64 78.47 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.259 0.35 . . . . 25.0 111.129 -175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 m -86.79 -30.51 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -70.51 -55.39 9.04 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 122.414 1.102 . . . . 25.0 110.856 -175.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -71.27 -14.42 62.22 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.949 -1.478 . . . . 25.0 111.245 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.13 85.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -103.67 -13.75 16.38 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -61.55 147.71 44.57 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.193 -0.942 . . . . 25.0 110.309 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 -18.46 43.21 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.778 -0.929 . . . . 25.0 110.778 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.26 -30.59 71.64 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.668 0.271 . . . . 25.0 110.945 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.5 -25.95 57.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.702 0.763 . . . . 25.0 111.029 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.27 -25.99 5.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.167 -0.54 . . . . 25.0 112.963 -176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -117.33 152.72 34.33 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.531 0.682 . . . . 25.0 111.486 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -20.11 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -173.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -110.92 5.23 20.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 111.89 0.33 . . . . 25.0 111.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.5 149.53 43.77 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.601 0.715 . . . . 25.0 110.606 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -154.34 149.3 26.74 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 97.2 p -74.54 154.29 38.69 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.004 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -60.66 -46.28 90.94 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.292 -0.255 . . . . 25.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -55.41 -38.24 68.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.24 -39.7 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 25.0 110.937 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.67 -38.87 92.04 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.466 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -64.54 -32.65 74.38 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.231 -0.293 . . . . 25.0 110.751 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.26 -48.16 30.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 25.0 111.547 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.37 -28.13 63.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 25.0 110.917 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -48.34 78.23 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.733 -0.604 . . . . 25.0 110.222 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.57 -22.5 56.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.559 -0.713 . . . . 25.0 111.706 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -26.29 57.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.169 0.293 . . . . 25.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.46 -44.8 3.82 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.333 1.605 . . . . 25.0 115.333 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 44' ' ' PHE . 0.7 OUTLIER -62.98 -61.28 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -174.724 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m 41.98 32.04 0.27 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 117.132 2.271 . . . . 25.0 117.132 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.13 -57.7 0.06 OUTLIER Glycine 0 C--N 1.336 0.567 0 CA-C-O 122.639 1.133 . . . . 25.0 112.688 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 60.0 m-85 -75.51 -10.02 59.08 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 115.009 1.485 . . . . 25.0 115.009 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.548 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.75 -22.12 66.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.899 -1.501 . . . . 25.0 109.645 173.182 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.01 -36.87 8.44 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.46 -3.78 26.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 116.113 1.894 . . . . 25.0 116.113 -174.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.448 ' HG2' ' H ' ' B' ' 48' ' ' GLN . 3.2 pt20 -73.88 145.33 44.91 Favored 'General case' 0 N--CA 1.392 -3.331 0 C-N-CA 123.095 0.558 . . . . 25.0 110.856 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -125.62 -28.18 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.07 89.56 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.91 -34.25 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.201 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.24 -38.32 81.69 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.687 -0.805 . . . . 25.0 110.349 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -54.22 30.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.09 -36.39 76.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.021 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.1 -47.52 79.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.186 0.517 . . . . 25.0 110.764 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -70.84 -27.27 63.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.239 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -78.79 -44.81 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 43.2 mtm -61.99 -42.6 99.32 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 119.507 -0.877 . . . . 25.0 110.819 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -72.19 -28.97 63.55 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.969 -0.56 . . . . 25.0 111.646 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -67.89 -43.72 78.67 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -33.42 74.45 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.145 -0.934 . . . . 25.0 109.931 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -68.19 -34.27 75.98 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.581 -0.7 . . . . 25.0 112.51 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.86 -35.3 32.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.116 0.96 . . . . 25.0 110.506 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -102.13 7.6 40.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.374 -1.284 . . . . 25.0 113.057 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.25 -28.4 69.13 Favored Glycine 0 CA--C 1.503 -0.66 0 CA-C-N 115.952 -0.567 . . . . 25.0 114.512 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -0.65 34.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.28 -168.62 35.9 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 108.518 -1.833 . . . . 25.0 108.518 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -137.3 154.96 49.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.498 -1.351 . . . . 25.0 113.972 -171.158 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.48 -179.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 114.143 -1.39 . . . . 25.0 111.151 -171.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.98 -174.45 3.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.971 0.35 . . . . 25.0 110.894 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.96 -42.64 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.944 0.35 . . . . 25.0 111.944 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.28 -39.68 94.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.5 -31.99 70.58 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.987 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -64.65 -42.92 95.08 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.563 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -57.58 -42.74 81.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.932 -0.577 . . . . 25.0 112.482 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.85 -25.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 120.834 -1.166 . . . . 25.0 110.286 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.53 -28.53 67.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 25.0 109.918 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 m -84.02 -32.88 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 118.823 -1.151 . . . . 25.0 108.984 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.997 0.739 . . . . 25.0 112.997 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.96 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 25.0 109.7 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.29 -33.72 49.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.533 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -44.72 87.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.36 -33.9 62.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.794 -0.762 . . . . 25.0 109.48 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.71 -31.86 71.25 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 122.062 -0.399 . . . . 25.0 110.124 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.09 -49.68 13.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -104.22 -40.32 6.18 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -21.07 63.11 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 122.061 -0.399 . . . . 25.0 110.367 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.3 OUTLIER -44.13 -22.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.897 2.184 . . . . 25.0 116.897 179.353 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.32 10.62 1.92 Allowed 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.635 -0.666 . . . . 25.0 112.28 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.498 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.02 -13.9 30.38 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.668 0.787 . . . . 25.0 111.405 171.047 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.04 142.97 57.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.648 0.737 . . . . 25.0 110.915 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -94.45 150.14 20.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.991 -0.549 . . . . 25.0 109.86 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.252 1.207 0 CA-C-O 115.747 -2.073 . . . . 25.0 106.168 176.214 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.612 -0.595 . . . . 25.0 111.612 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.7 t -106.4 158.91 16.54 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 122.97 0.508 . . . . 25.0 111.001 -177.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -26.42 68.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 170.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -31.31 70.94 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.15 -30.11 43.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -21.91 62.89 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.13 -54.63 32.93 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.48 -28.14 66.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.0 mm-40 -65.99 -30.18 70.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.266 0.555 . . . . 25.0 110.649 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 39.2 p -74.46 -37.79 63.14 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.661 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -37.05 85.64 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 9' ' ' GLU . 70.1 mt -63.12 -38.92 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -46.21 74.87 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.977 0.173 . . . . 25.0 111.25 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -84.84 -31.66 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 112.491 0.552 . . . . 25.0 112.491 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.62 -55.98 14.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.404 1.097 . . . . 25.0 110.557 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -74.22 -15.99 60.98 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.756 -1.565 . . . . 25.0 111.25 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.64 81.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.621 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -100.01 -0.92 38.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 112.169 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -69.11 157.37 37.0 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.99 -3.85 58.74 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 114.934 -1.03 . . . . 25.0 112.67 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -68.31 -24.78 64.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.349 -0.501 . . . . 25.0 109.687 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.56 -27.44 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.516 0.674 . . . . 25.0 109.909 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.57 -30.14 4.31 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.827 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.04 155.88 23.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 112.178 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -77.26 -27.63 53.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.397 1.079 . . . . 25.0 112.723 -172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -103.93 9.09 36.85 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.471 -1.241 . . . . 25.0 110.822 -171.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -135.36 157.63 46.42 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-N 114.221 -1.354 . . . . 25.0 107.872 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 28' ' ' LEU . 5.1 mt -157.15 153.1 27.18 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 173.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -71.28 153.02 42.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -56.27 -41.86 76.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.65 -37.87 82.95 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -63.79 -38.14 89.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.444 0.64 . . . . 25.0 109.942 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.53 -37.07 84.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.575 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.93 -35.59 81.04 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.91 -46.45 44.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.77 -28.69 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.788 -0.57 . . . . 25.0 111.469 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.18 -43.93 96.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.797 -0.564 . . . . 25.0 109.79 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.03 -22.34 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.816 -0.754 . . . . 25.0 111.331 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -25.58 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.628 -0.429 . . . . 25.0 111.556 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.07 -45.22 4.58 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -64.11 1.22 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m 43.89 30.16 0.37 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.28 -55.51 0.1 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.719 0.622 . . . . 25.0 113.241 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -20.92 62.77 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.63 -24.79 67.94 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.023 -0.99 . . . . 25.0 110.408 177.589 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -96.28 -21.96 17.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 122.74 1.257 . . . . 25.0 108.912 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.74 4.33 14.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.246 -1.343 . . . . 25.0 111.947 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -78.92 114.24 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 25.0 110.861 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.32 -26.81 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.436 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.53 94.76 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.53 0.681 . . . . 25.0 111.241 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.88 -33.69 63.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.133 -0.939 . . . . 25.0 111.383 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.8 -40.49 83.87 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.377 -0.929 . . . . 25.0 109.91 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.18 -50.15 67.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.314 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.9 -31.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.584 -0.447 . . . . 25.0 110.466 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.82 -25.32 58.94 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.889 -0.507 . . . . 25.0 111.291 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -83.54 -43.41 15.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.135 -0.353 . . . . 25.0 111.257 176.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.9 -37.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.323 0.861 . . . . 25.0 113.323 -172.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.4 mmm -64.26 -43.51 94.63 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.918 -1.113 . . . . 25.0 109.255 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 56' ' ' LYS . 18.8 pttp -70.38 -27.44 64.31 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.507 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -49.58 66.29 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.944 -1.873 . . . . 25.0 105.944 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -29.77 70.56 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.211 -0.904 . . . . 25.0 111.445 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.32 -34.2 74.29 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.604 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -88.94 -28.66 20.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.621 0.724 . . . . 25.0 112.552 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -108.13 6.87 27.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.968 -1.015 . . . . 25.0 113.091 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.0 -32.15 66.21 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.532 0.573 . . . . 25.0 114.532 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.33 6.74 28.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.86 -160.56 35.05 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.311 -1.916 . . . . 25.0 108.311 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.51 145.44 51.16 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -173.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -147.84 177.1 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.422 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.65 -174.21 3.24 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.211 -0.306 . . . . 25.0 110.793 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.16 -41.47 75.5 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -65.85 -39.22 90.57 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.16 -29.33 67.32 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.407 -0.808 . . . . 25.0 110.804 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -68.94 -41.55 77.92 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.434 -0.791 . . . . 25.0 108.996 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.754 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.2 -38.62 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.495 -0.775 . . . . 25.0 111.875 175.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.58 -40.16 79.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.79 -35.51 80.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.048 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.36 -34.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.403 -0.919 . . . . 25.0 108.982 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -20.58 61.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.017 -0.427 . . . . 25.0 111.621 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.24 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.381 0.61 . . . . 25.0 109.368 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.58 -37.27 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -43.51 75.42 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.977 -178.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.39 -33.21 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.487 -0.885 . . . . 25.0 110.18 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.96 -25.0 61.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 120.103 -0.639 . . . . 25.0 109.344 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.6 t -84.27 -48.56 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -109.95 -35.61 6.1 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.039 1.496 . . . . 25.0 115.039 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -20.8 61.75 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 2.7 t80 -42.59 -20.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.558 2.059 . . . . 25.0 116.558 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -79.14 10.73 3.29 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.588 -0.695 . . . . 25.0 112.499 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.502 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -62.69 -17.57 60.87 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.05 0.94 . . . . 25.0 111.787 172.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.79 -178.92 4.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -82.84 77.82 9.53 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 124.58 2.133 . . . . 25.0 108.067 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.3 -1.582 0 CA-C-N 109.77 -3.377 . . . . 25.0 109.928 -178.466 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.346 0 N-CA-C 112.238 -0.345 . . . . 25.0 112.238 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -74.0 158.19 34.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.359 0.599 . . . . 25.0 110.181 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.05 -36.67 83.87 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.648 -0.657 . . . . 25.0 110.081 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -31.96 73.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -175.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.23 -30.51 54.58 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.491 -0.756 . . . . 25.0 111.669 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 m -71.27 -20.34 62.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.46 -56.27 18.34 Favored 'General case' 0 N--CA 1.442 -0.853 0 O-C-N 121.394 -0.816 . . . . 25.0 112.219 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -60.38 -26.36 66.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -63.84 -32.84 74.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.336 0.589 . . . . 25.0 110.632 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.545 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 51.2 p -74.2 -39.14 63.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.414 -0.514 . . . . 25.0 111.056 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -37.62 88.25 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.45 -40.87 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -45.62 72.66 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.975 0.172 . . . . 25.0 111.349 -177.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.3 -31.07 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.66 -57.5 7.95 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 122.475 1.131 . . . . 25.0 110.749 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -19.81 63.52 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.88 -1.509 . . . . 25.0 110.689 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.8 94.37 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.234 -0.587 . . . . 25.0 110.797 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -97.08 -0.99 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.44 -0.346 . . . . 25.0 111.604 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -65.42 152.79 43.05 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.33 -7.48 54.23 Favored Glycine 0 C--O 1.222 -0.62 0 CA-C-N 115.39 -0.823 . . . . 25.0 113.031 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -67.92 -19.51 65.0 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.564 -0.374 . . . . 25.0 111.118 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.31 -26.37 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.418 0.627 . . . . 25.0 110.731 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -28.91 4.62 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -121.03 157.39 30.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 171.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -93.26 -15.32 25.97 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -90.44 6.17 44.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.825 1.298 . . . . 25.0 108.617 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -134.51 159.37 41.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.025 -1.898 . . . . 25.0 107.388 -173.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.9 mt -158.81 149.47 19.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 171.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.0 p -70.59 151.2 45.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -56.06 -41.39 75.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.449 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -59.66 -38.84 82.55 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.52 -38.56 91.6 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.335 0.588 . . . . 25.0 109.787 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.47 -37.54 85.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.989 -0.445 . . . . 25.0 110.365 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.91 -45.34 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.853 -0.158 . . . . 25.0 111.007 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.44 -29.41 64.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.725 -0.61 . . . . 25.0 110.664 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.37 -42.04 98.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.615 -0.678 . . . . 25.0 110.112 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.53 -22.65 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.333 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -32.47 55.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.745 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 6.9 mm-40 -101.24 -45.27 5.41 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.447 1.647 . . . . 25.0 115.447 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 -66.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.169 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.85 34.59 0.28 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -173.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.9 -56.69 0.08 OUTLIER Glycine 0 C--O 1.222 -0.607 0 CA-C-O 121.507 0.504 . . . . 25.0 113.377 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -23.2 63.94 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -173.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.18 -23.64 66.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.841 -1.072 . . . . 25.0 110.661 178.224 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -106.73 5.51 28.8 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.349 1.071 . . . . 25.0 109.583 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.44 5.59 27.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.231 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.57 121.05 24.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.38 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -92.72 -30.1 15.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.537 . . . . 25.0 110.584 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -74.4 99.37 3.5 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.281 0.562 . . . . 25.0 112.074 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.94 -34.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.558 -0.746 . . . . 25.0 112.339 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.64 -37.79 76.9 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.22 -0.992 . . . . 25.0 109.703 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.35 61.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.56 -36.14 76.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.812 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.65 -45.29 79.49 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.575 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -77.18 -31.55 55.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -82.63 -39.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.731 -0.213 . . . . 25.0 111.329 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -66.32 -41.32 89.82 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 118.807 -1.157 . . . . 25.0 108.717 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.46 62.49 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.03 -52.05 12.03 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 105.954 -1.869 . . . . 25.0 105.954 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -34.74 78.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.21 -0.904 . . . . 25.0 111.376 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -88.18 -30.53 19.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.72 0.771 . . . . 25.0 112.203 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -103.03 8.21 38.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 25.0 112.712 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.15 64.97 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 114.597 0.599 . . . . 25.0 114.597 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -84.06 5.35 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.989 0.395 . . . . 25.0 111.858 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.94 -159.6 34.68 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.38 147.48 51.79 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 -173.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.11 175.78 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -126.66 -174.12 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.76 -42.41 83.96 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.41 -27.21 66.0 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.788 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -68.08 -42.14 80.82 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.809 -0.756 . . . . 25.0 109.191 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.754 HG12 HG13 ' A' ' 75' ' ' VAL . 67.4 t -61.63 -35.11 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.109 177.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.93 -39.54 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.537 -0.727 . . . . 25.0 109.338 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.45 -36.06 82.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.755 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.64 -31.88 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 119.325 -0.95 . . . . 25.0 108.872 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.12 -20.75 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.819 -0.551 . . . . 25.0 112.338 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.58 72.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.18 -35.66 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -66.72 -46.78 74.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.49 -35.02 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.055 -0.658 . . . . 25.0 109.652 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.3 -26.28 55.68 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.909 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 t -86.45 -44.13 12.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -116.91 -34.81 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -77.88 -15.89 58.68 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.245 -0.407 . . . . 25.0 111.113 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.599 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 3.7 p90 -46.16 -15.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 117.056 2.243 . . . . 25.0 117.056 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.65 10.92 2.84 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 123.777 0.831 . . . . 25.0 111.131 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.599 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.68 -17.41 55.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 25.0 112.088 177.017 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.46 139.84 57.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -73.66 130.31 39.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.272 -0.571 . . . . 25.0 109.492 -175.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 115.937 -1.983 . . . . 25.0 105.938 179.313 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.803 0 N-CA-C 110.989 -0.844 . . . . 25.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -89.33 152.12 21.71 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -28.87 70.28 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.305 174.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -27.3 69.19 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.43 -34.3 58.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 121.535 0.684 . . . . 25.0 112.016 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -22.48 62.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.567 0.699 . . . . 25.0 109.361 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.18 -59.06 4.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.979 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.1 -27.28 65.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.59 -32.89 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.418 0.627 . . . . 25.0 110.933 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.8 p -75.54 -36.95 60.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.01 0.433 . . . . 25.0 111.37 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -38.44 90.57 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.519 -1.289 . . . . 25.0 107.519 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.53 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.21 -47.44 72.11 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 119.754 -0.165 . . . . 25.0 111.285 -178.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG13 ' ND2' ' A' ' 13' ' ' ASN . 34.3 m -83.64 -31.24 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.383 0.611 . . . . 25.0 112.392 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.87 -56.73 11.65 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.641 1.21 . . . . 25.0 110.927 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.31 -18.04 61.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.874 -1.512 . . . . 25.0 111.117 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.07 91.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.071 -0.651 . . . . 25.0 109.671 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -95.11 -4.5 46.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -61.95 154.88 25.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.23 -2.76 43.68 Favored Glycine 0 C--O 1.222 -0.615 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.186 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -66.16 -33.65 76.26 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.318 0.58 . . . . 25.0 109.788 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -77.25 -29.47 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.722 -1.126 . . . . 25.0 110.991 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -30.83 4.1 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.149 -0.78 . . . . 25.0 111.149 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.43 166.34 11.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.242 0.544 . . . . 25.0 109.8 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -84.23 -35.25 23.58 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 123.54 0.736 . . . . 25.0 111.98 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.85 5.02 52.31 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.551 1.167 . . . . 25.0 109.357 -169.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -128.57 152.51 48.23 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 113.372 -1.74 . . . . 25.0 106.774 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.9 mt -153.64 159.23 42.02 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 105.666 -1.976 . . . . 25.0 105.666 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.3 p -82.35 151.28 26.76 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.085 -0.646 . . . . 25.0 109.414 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -57.65 -40.92 80.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.64 0.257 . . . . 25.0 110.857 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -57.84 -37.1 73.27 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -67.42 -41.34 84.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.475 0.655 . . . . 25.0 109.896 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.79 -38.27 90.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.774 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.21 -41.0 87.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.009 0.433 . . . . 25.0 111.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.79 -37.73 24.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.964 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.0 -31.42 70.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.781 -0.768 . . . . 25.0 109.484 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.71 -47.34 84.04 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.909 -0.494 . . . . 25.0 109.883 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -75.87 -22.41 56.21 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.56 -175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -28.78 31.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.06 -40.47 9.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.173 0.511 . . . . 25.0 112.212 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -86.88 -62.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.177 -176.709 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 49.28 23.09 0.76 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.698 1.74 . . . . 25.0 115.698 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.54 -57.2 0.11 Allowed Glycine 0 C--O 1.226 -0.373 0 CA-C-O 122.009 0.783 . . . . 25.0 112.829 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -71.23 -18.56 62.45 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -173.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.84 -25.79 68.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.455 176.637 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -99.02 -21.42 16.23 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.372 1.082 . . . . 25.0 109.143 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.83 -12.65 61.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.014 -0.994 . . . . 25.0 110.994 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.06 142.18 58.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 25.0 110.906 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -125.48 -25.92 3.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.751 0.42 . . . . 25.0 111.653 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -73.13 97.2 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.913 0.387 . . . . 25.0 111.295 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.89 -34.02 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 122.979 0.511 . . . . 25.0 111.667 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.06 -41.6 81.75 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.063 -1.055 . . . . 25.0 109.799 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.72 68.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.692 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.79 -33.44 61.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.287 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.15 -39.27 68.89 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -37.38 70.84 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.73 -42.11 20.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.025 -0.534 . . . . 25.0 111.11 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.46 -37.18 86.1 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.345 -0.942 . . . . 25.0 109.575 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -25.08 60.46 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 120.373 -0.531 . . . . 25.0 112.152 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -73.58 -48.16 34.91 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -31.57 72.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.329 -0.85 . . . . 25.0 110.958 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -35.68 81.89 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.444 -0.785 . . . . 25.0 112.101 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.34 -29.76 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.565 0.698 . . . . 25.0 112.102 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.63 3.06 26.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.672 0.989 . . . . 25.0 113.672 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -28.72 67.43 Favored Glycine 0 CA--C 1.505 -0.578 0 CA-C-N 116.217 -0.447 . . . . 25.0 113.402 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -1.76 44.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.28 34.25 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 109.156 -1.578 . . . . 25.0 109.156 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.47 145.71 45.06 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.144 -1.528 . . . . 25.0 112.926 -170.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.1 -178.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.726 -1.125 . . . . 25.0 110.003 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.75 -174.26 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.428 0.291 . . . . 25.0 110.881 -173.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.0 tt0 -66.27 -40.58 90.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.238 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -66.69 -42.9 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.716 -0.615 . . . . 25.0 110.308 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG13 HG12 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -63.97 -29.1 46.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 122.026 -0.421 . . . . 25.0 111.569 -179.46 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.04 -41.51 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.27 -34.91 78.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.994 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.84 -34.26 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 119.425 -0.91 . . . . 25.0 109.579 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.8 -20.73 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.799 -0.563 . . . . 25.0 111.832 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.44 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.357 0.599 . . . . 25.0 109.518 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.99 -37.72 72.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -44.46 78.19 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.87 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.23 -32.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.659 -0.817 . . . . 25.0 110.654 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.52 59.91 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 121.939 -0.476 . . . . 25.0 110.263 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -83.89 -53.39 5.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.04 0.756 . . . . 25.0 113.04 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -101.55 -43.75 5.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.277 1.214 . . . . 25.0 114.277 -170.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -20.96 64.02 Favored 'General case' 0 C--O 1.208 -1.079 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 83.4 t80 -41.68 -24.21 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 117.593 2.442 . . . . 25.0 117.593 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 66.3 m-85 -81.44 12.43 3.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.732 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.63 -24.22 46.59 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.081 0.953 . . . . 25.0 111.139 174.578 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.59 143.07 40.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.251 0.548 . . . . 25.0 110.171 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.29 128.7 36.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.583 0.706 . . . . 25.0 110.52 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.93 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.17 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -71.41 146.41 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.658 0.729 . . . . 25.0 110.138 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.431 -0.793 . . . . 25.0 108.957 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -27.89 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.029 -0.532 . . . . 25.0 112.42 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.04 -29.7 31.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.228 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.4 m -67.23 -22.22 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.588 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.83 -55.85 27.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.892 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.6 ptp -62.36 -25.25 67.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.38 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.61 0.719 . . . . 25.0 110.658 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 40.4 p -74.98 -38.46 61.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.888 -0.508 . . . . 25.0 111.204 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -36.92 84.2 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.12 -40.75 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -45.48 73.92 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.044 0.215 . . . . 25.0 111.381 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.58 -31.24 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.48 -56.11 10.87 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 122.275 1.036 . . . . 25.0 111.876 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -69.52 -18.95 63.72 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.133 -1.394 . . . . 25.0 110.41 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.28 86.06 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.349 -0.54 . . . . 25.0 110.134 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -103.71 2.5 33.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 97.5 p -64.64 155.9 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.539 0.685 . . . . 25.0 112.491 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.05 66.15 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.526 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -60.95 -29.73 69.81 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.788 -0.242 . . . . 25.0 110.726 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -112.2 41.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.898 2.285 . . . . 25.0 115.137 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.85 -30.72 6.75 Favored Glycine 0 C--N 1.289 -2.044 0 CA-C-N 112.558 -2.11 . . . . 25.0 116.317 167.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.51 153.86 48.39 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -18.87 62.38 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 115.292 1.59 . . . . 25.0 115.292 -174.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 18.8 m-85 -112.74 9.04 19.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.495 0.664 . . . . 25.0 110.28 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -123.13 152.89 40.68 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -157.54 148.1 21.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.859 -1.904 . . . . 25.0 105.859 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -81.15 153.51 27.21 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.339 0.59 . . . . 25.0 111.694 -176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.52 -39.34 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -55.98 -41.76 75.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.85 -39.83 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.364 0.602 . . . . 25.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.54 -38.04 88.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.138 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -62.19 -38.53 89.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.263 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.26 -39.21 49.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.718 -0.393 . . . . 25.0 112.055 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.29 -30.11 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.475 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.95 -43.01 97.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.825 -0.547 . . . . 25.0 110.452 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -78.41 -22.47 47.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.891 -0.506 . . . . 25.0 110.885 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -28.32 29.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -99.28 -45.27 5.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -61.19 1.72 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.253 -175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.25 30.71 2.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.27 -47.58 0.08 OUTLIER Glycine 0 C--O 1.217 -0.958 0 CA-C-O 122.435 1.019 . . . . 25.0 113.718 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.34 -18.43 61.18 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 120.628 -1.513 . . . . 25.0 113.333 -176.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.478 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.72 -24.19 67.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.072 176.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.14 -13.36 14.38 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 122.147 0.975 . . . . 25.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.89 -9.7 58.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.394 177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.69 142.44 58.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.91 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -122.9 -25.86 4.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.576 0.35 . . . . 25.0 111.059 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -72.3 106.29 4.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 25.0 111.502 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.11 -33.94 67.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.966 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.78 -37.17 76.27 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.577 -0.849 . . . . 25.0 109.948 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.45 57.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.61 -37.68 80.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.311 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.26 -43.13 78.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.763 -0.585 . . . . 25.0 112.149 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.68 -35.18 58.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.771 0.285 . . . . 25.0 111.771 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.13 -36.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 38.6 mmt -69.25 -36.14 76.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.443 -1.303 . . . . 25.0 109.334 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -71.2 -29.46 65.18 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.392 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -46.03 67.2 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 -175.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -28.77 70.21 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.589 -0.732 . . . . 25.0 111.132 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.86 -38.77 76.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.225 0.536 . . . . 25.0 111.586 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.43 -36.41 45.6 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.205 1.002 . . . . 25.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -105.06 5.43 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.998 -1.456 . . . . 25.0 113.942 -168.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.02 -34.1 71.36 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.219 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.64 4.27 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.16 -160.9 36.97 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 108.037 -2.025 . . . . 25.0 108.037 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 147.46 38.24 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.288 0.566 . . . . 25.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.65 -178.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.771 -1.104 . . . . 25.0 108.564 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.49 -174.03 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 25.0 110.705 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.32 -41.4 79.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.7 -39.83 94.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.28 -31.54 71.06 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.685 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -68.29 -40.76 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.722 0.773 . . . . 25.0 108.929 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.491 HG12 HG13 ' A' ' 75' ' ' VAL . 16.1 t -59.87 -37.47 72.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.376 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.52 -38.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.33 -36.56 84.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.04 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.3 -32.43 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 119.37 -0.932 . . . . 25.0 109.128 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.73 -20.68 60.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.84 74.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.82 -36.87 70.35 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -45.38 75.28 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.81 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.5 m -69.22 -32.34 53.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.88 -0.728 . . . . 25.0 110.527 -177.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.84 66.38 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.9 t -83.33 -51.54 7.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -107.83 -32.83 7.45 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.721 1.749 . . . . 25.0 115.721 -168.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.401 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -77.0 -16.0 59.46 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 121.683 -0.636 . . . . 25.0 109.424 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -40.72 -20.72 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 117.323 2.342 . . . . 25.0 117.323 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -81.79 9.75 7.44 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.884 -0.51 . . . . 25.0 112.274 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -12.09 17.55 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.044 1.128 . . . . 25.0 114.044 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.19 150.58 43.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.545 0.688 . . . . 25.0 111.646 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -77.89 133.85 38.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.251 1.158 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 178.606 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.333 0 N-CA-C 111.547 -0.621 . . . . 25.0 111.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -105.71 -175.54 2.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -25.87 20.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.22 71.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.86 -22.52 36.91 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.601 -0.687 . . . . 25.0 112.103 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -22.06 62.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.43 0.633 . . . . 25.0 109.92 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.61 -57.06 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -32.2 65.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -177.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.98 -35.18 72.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 70.1 p -72.93 -38.64 66.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 25.0 110.854 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -38.45 89.28 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 176.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.6 -40.79 85.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -46.54 74.11 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.958 0.161 . . . . 25.0 111.395 -178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.05 -29.65 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.33 -57.41 6.68 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.444 1.116 . . . . 25.0 110.319 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.54 -16.43 62.88 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.865 -1.516 . . . . 25.0 111.634 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.32 89.75 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.448 -0.501 . . . . 25.0 109.809 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -99.8 -6.51 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 56.6 m -63.46 149.8 45.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -173.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.65 -10.31 57.49 Favored Glycine 0 N--CA 1.458 0.149 0 CA-C-N 114.667 -1.151 . . . . 25.0 112.71 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -61.63 -27.08 68.4 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -116.46 42.08 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 125.091 2.377 . . . . 25.0 114.381 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.09 -30.87 6.33 Favored Glycine 0 C--N 1.291 -1.918 0 CA-C-N 112.408 -2.178 . . . . 25.0 117.389 165.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -129.55 158.82 38.2 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -68.05 -29.47 68.44 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 125.498 1.519 . . . . 25.0 113.88 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -109.94 11.21 24.18 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.128 0.966 . . . . 25.0 110.576 -174.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -130.21 155.13 46.78 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 114.009 -1.451 . . . . 25.0 107.831 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.7 mt -153.79 169.26 23.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -97.25 155.36 16.89 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -56.94 -41.03 77.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 25.0 111.254 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -54.08 -40.1 66.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -69.47 -40.01 77.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.432 0.634 . . . . 25.0 110.576 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.6 -36.97 85.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 25.0 110.726 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.98 -37.9 84.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.661 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -80.31 -43.11 21.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.95 -29.85 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.463 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.36 -48.23 76.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -76.44 -22.63 54.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.647 -0.658 . . . . 25.0 111.659 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -28.42 54.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -100.23 -45.39 5.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.553 0.692 . . . . 25.0 112.107 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -60.32 2.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.406 -174.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.04 23.0 0.45 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.34 -57.22 0.11 Allowed Glycine 0 C--O 1.227 -0.301 0 CA-C-O 121.799 0.666 . . . . 25.0 112.736 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -18.96 62.89 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -173.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.27 -25.39 68.3 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.23 -0.895 . . . . 25.0 109.595 176.352 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -101.42 -16.61 16.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.893 1.33 . . . . 25.0 109.181 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.88 -12.67 61.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.558 -1.201 . . . . 25.0 110.486 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.98 124.98 23.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.408 -0.36 . . . . 25.0 111.227 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -113.3 -20.57 11.33 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.606 0.362 . . . . 25.0 111.108 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -76.0 94.9 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.396 0.617 . . . . 25.0 111.276 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' HA ' HG22 ' A' ' 54' ' ' VAL . 59.6 t -62.27 -34.72 65.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.007 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.48 -31.34 71.42 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.188 0.518 . . . . 25.0 110.889 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.66 -53.81 7.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.374 . . . . 25.0 110.021 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 51' ' ' VAL . 30.0 m -63.14 -33.85 63.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 C-N-CA 120.548 -0.461 . . . . 25.0 112.026 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.24 -39.14 92.3 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.739 -0.601 . . . . 25.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -35.38 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.4 -38.08 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.07 -36.02 77.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 118.605 -1.238 . . . . 25.0 109.762 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -70.95 -30.07 66.27 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.226 -0.59 . . . . 25.0 110.28 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.25 -45.7 69.1 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 107.018 -1.475 . . . . 25.0 107.018 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -30.68 71.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.836 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.5 -37.88 77.37 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.067 -0.396 . . . . 25.0 111.711 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.53 -13.49 32.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -117.78 8.55 12.74 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.18 65.03 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.541 -0.299 . . . . 25.0 113.836 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.78 2.64 41.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.09 -171.74 46.77 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 107.061 -2.416 . . . . 25.0 107.061 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.99 148.54 50.09 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -172.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.0 174.93 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.358 -1.292 . . . . 25.0 109.964 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.42 -174.09 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -57.42 -37.19 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -67.86 -38.71 83.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 25.0 110.134 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.54 -30.04 66.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.754 -0.591 . . . . 25.0 110.075 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.78 -44.68 73.14 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.199 -0.938 . . . . 25.0 110.565 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -63.4 -31.54 53.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.848 -0.532 . . . . 25.0 111.774 -177.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.87 -27.21 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 121.315 -0.866 . . . . 25.0 109.937 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.02 -28.81 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.024 -0.362 . . . . 25.0 110.024 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -83.62 -32.1 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 118.771 -1.171 . . . . 25.0 109.245 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -20.69 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.136 -0.352 . . . . 25.0 110.896 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.81 76.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.431 0.634 . . . . 25.0 109.74 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -70.76 -38.09 73.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -45.42 77.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 115.562 -0.745 . . . . 25.0 111.524 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.9 m -70.32 -31.11 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.44 -0.904 . . . . 25.0 111.071 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.43 60.81 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.273 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 t -91.32 -48.94 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -108.01 -45.76 3.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -169.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -67.95 -20.42 65.06 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 80.5 t80 -41.23 -21.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 117.807 2.521 . . . . 25.0 117.807 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 59.9 m-85 -85.13 12.05 8.59 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.679 -0.692 . . . . 25.0 111.584 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -58.56 -7.1 0.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.325 1.45 . . . . 25.0 113.969 173.592 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.64 112.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.435 1.112 . . . . 25.0 111.978 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.46 137.42 39.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.008 -0.996 . . . . 25.0 109.716 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -177.9 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.435 0 N-CA-C 109.64 -1.384 . . . . 25.0 109.64 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -105.57 161.23 14.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.11 -28.65 42.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.53 -26.84 45.87 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.501 -0.749 . . . . 25.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -65.84 -22.16 66.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.71 -56.4 19.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -60.47 -25.79 66.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -63.16 -32.97 74.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.712 0.768 . . . . 25.0 110.866 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.6 p -75.28 -39.1 60.03 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.925 -0.485 . . . . 25.0 111.191 -177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.9 -37.09 83.72 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -59.24 -43.04 88.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -44.1 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.516 0.51 . . . . 25.0 111.627 -176.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -86.82 -32.13 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.24 -57.79 6.05 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.712 1.244 . . . . 25.0 110.59 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -72.27 -16.06 61.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.676 -1.602 . . . . 25.0 112.176 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.82 85.21 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 25.0 109.933 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -103.92 -2.3 26.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.74 154.01 40.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 -8.33 34.65 Favored Glycine 0 C--O 1.223 -0.562 0 CA-C-N 115.049 -0.978 . . . . 25.0 112.754 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.81 -18.21 62.1 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -28.51 32.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.827 0.822 . . . . 25.0 108.878 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.62 -30.81 3.91 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.797 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.77 155.04 20.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.394 1.097 . . . . 25.0 111.136 170.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -12.49 59.46 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -172.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 19.6 m-85 -110.36 14.74 22.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.926 0.869 . . . . 25.0 109.291 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.48 158.32 44.66 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.683 -1.144 . . . . 25.0 108.568 -172.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -153.29 163.52 39.75 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.4 p -88.58 152.64 21.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.14 -41.99 80.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 25.0 111.474 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -58.06 -34.67 70.37 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -67.3 -38.48 85.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.561 0.696 . . . . 25.0 110.636 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.87 -36.47 84.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.395 -0.821 . . . . 25.0 110.097 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 ttpp -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.889 -0.141 . . . . 25.0 110.783 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.03 -44.33 31.21 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.389 -0.525 . . . . 25.0 112.226 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.71 -31.71 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.011 -0.676 . . . . 25.0 110.394 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.65 96.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.091 -0.38 . . . . 25.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -79.25 -22.48 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.732 . . . . 25.0 111.049 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -32.74 37.36 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.281 0.363 . . . . 25.0 111.452 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.79 -44.24 8.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.963 0.887 . . . . 25.0 113.367 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.56 -65.52 1.0 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.804 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.3 37.18 1.84 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -177.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.47 -45.3 0.06 OUTLIER Glycine 0 C--O 1.225 -0.426 0 N-CA-C 111.743 -0.543 . . . . 25.0 111.743 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -71.58 -15.97 62.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.921 -0.752 . . . . 25.0 112.982 -177.035 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -21.46 64.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.23 -0.895 . . . . 25.0 110.436 175.035 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.21 -31.05 10.3 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.667 1.222 . . . . 25.0 109.998 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -68.7 -28.17 66.61 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.999 -1.0 . . . . 25.0 113.353 -177.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.68 138.35 58.34 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.15 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -119.61 -31.5 4.55 Favored 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 123.328 0.651 . . . . 25.0 112.388 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -75.64 92.48 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.071 0.463 . . . . 25.0 110.12 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.88 -33.94 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.68 -38.54 80.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.619 -0.833 . . . . 25.0 110.637 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.56 44.19 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.93 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.755 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.71 -43.73 88.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.458 . . . . 25.0 110.429 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -71.79 -30.06 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.051 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.12 -41.9 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 110.171 -0.307 . . . . 25.0 110.171 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -64.72 -39.31 93.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.347 -0.846 . . . . 25.0 110.796 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -26.65 61.4 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 119.756 -0.778 . . . . 25.0 111.299 177.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -46.85 72.5 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -26.0 68.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.811 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.98 -39.79 69.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.53 0.681 . . . . 25.0 111.238 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -79.87 -34.93 38.79 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.326 1.06 . . . . 25.0 110.955 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -105.91 6.21 31.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.061 -1.427 . . . . 25.0 113.391 -169.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.23 -32.5 63.61 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 114.24 0.456 . . . . 25.0 114.24 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -82.51 1.03 39.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.94 -162.76 37.97 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 108.7 -1.76 . . . . 25.0 108.7 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.68 149.94 51.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.95 174.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.506 -1.225 . . . . 25.0 109.486 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -128.93 -173.96 3.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.848 -0.797 . . . . 25.0 108.848 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.65 -40.54 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.44 ' HB2' HG11 ' A' ' 83' ' ' VAL . 31.5 tt0 -61.98 -42.83 99.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.469 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.09 -30.4 70.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.749 -0.381 . . . . 25.0 110.746 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -67.31 -41.52 85.21 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.034 -0.666 . . . . 25.0 109.472 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.88 -37.48 76.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.663 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.7 -38.15 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.83 -37.38 87.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.987 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -75.84 -29.27 19.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 119.593 -0.843 . . . . 25.0 109.462 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.51 -20.68 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.049 -0.407 . . . . 25.0 111.882 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.22 70.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.57 -34.34 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -66.36 -45.84 78.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.818 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.5 -33.55 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.27 -0.572 . . . . 25.0 109.64 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.09 -29.59 68.57 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.313 -0.242 . . . . 25.0 110.399 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.22 -51.02 7.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -103.81 -34.71 8.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.959 1.466 . . . . 25.0 114.959 -169.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -16.84 60.74 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -40.84 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.978 2.214 . . . . 25.0 116.978 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.54 11.08 2.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.805 0.669 . . . . 25.0 112.805 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -15.74 33.49 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.494 0.718 . . . . 25.0 112.565 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.43 123.61 22.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.72 129.45 40.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.293 -170.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.252 1.223 0 CA-C-O 115.987 -1.958 . . . . 25.0 106.577 178.257 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.78 -24.28 67.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.098 0.475 . . . . 25.0 110.363 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -28.93 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.543 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.06 -30.2 31.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.98 66.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.155 0.978 . . . . 25.0 108.887 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.1 -56.19 22.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.293 -177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.401 ' H ' ' HG2' ' A' ' 8' ' ' MET . 13.4 ptp -60.65 -26.77 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.32 -34.11 76.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.194 0.521 . . . . 25.0 110.647 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 38.0 p -72.74 -38.0 67.55 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.296 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -38.05 88.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.51 -40.14 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.58 -47.51 73.23 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 122.873 0.108 . . . . 25.0 111.09 -178.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' ND2' ' A' ' 13' ' ' ASN . 35.5 m -83.89 -31.6 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.186 0.517 . . . . 25.0 111.795 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.85 -59.54 3.44 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.347 1.07 . . . . 25.0 110.218 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.31 -18.43 64.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.872 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.65 76.95 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -98.37 -12.42 21.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.463 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -64.99 155.78 33.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.704 1.742 . . . . 25.0 115.704 -171.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.35 40.39 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 114.564 -1.198 . . . . 25.0 112.283 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.95 -30.89 71.92 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.73 41.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.523 2.106 . . . . 25.0 115.379 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 -30.84 4.77 Favored Glycine 0 C--N 1.292 -1.894 0 CA-C-N 112.98 -1.918 . . . . 25.0 116.194 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.34 158.79 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.297 0.57 . . . . 25.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -71.33 -20.39 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -104.05 8.56 36.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.104 0.478 . . . . 25.0 111.671 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -128.15 147.25 50.55 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.07 0.938 . . . . 25.0 110.501 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.2 mt -155.06 157.18 37.16 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.22 157.08 20.71 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.167 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -55.95 -41.71 75.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.267 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -54.77 -38.64 67.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.919 1.081 . . . . 25.0 113.919 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -66.49 -40.3 89.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.354 0.597 . . . . 25.0 109.744 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.84 -38.22 85.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.594 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.03 -33.66 76.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -77.15 -48.01 18.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.826 0.346 . . . . 25.0 110.438 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.13 -35.0 78.8 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.054 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.21 -44.77 96.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.543 -0.723 . . . . 25.0 110.846 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -76.97 -22.53 53.06 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.823 -0.751 . . . . 25.0 110.991 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -29.95 21.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.46 -36.73 13.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.178 -0.326 . . . . 25.0 110.773 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 -62.39 1.47 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m 45.41 34.82 1.67 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.77 -50.78 0.06 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-O 122.279 0.933 . . . . 25.0 113.074 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -13.01 61.37 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -26.01 68.38 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 176.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.29 -25.42 22.81 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.009 1.385 . . . . 25.0 109.434 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.28 -13.57 60.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.072 -1.422 . . . . 25.0 112.439 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.34 121.84 19.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -109.89 -20.37 12.78 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.238 -0.289 . . . . 25.0 111.704 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -81.5 94.71 6.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.182 0.515 . . . . 25.0 112.212 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.0 -36.28 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.494 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.08 -33.09 73.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 25.0 110.937 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -53.27 9.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.223 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.84 -35.42 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.456 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.8 -44.77 96.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -72.67 -35.83 67.8 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 -175.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.57 -39.91 18.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.831 -0.622 . . . . 25.0 110.627 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmt -66.8 -36.45 82.42 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.042 -1.036 . . . . 25.0 110.86 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 7.4 pttt -77.55 -25.9 50.5 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.987 -0.685 . . . . 25.0 111.279 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.42 -48.47 72.68 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -29.43 70.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 25.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.99 -38.83 83.13 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.378 -0.826 . . . . 25.0 111.159 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.03 -26.82 23.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.111 0.481 . . . . 25.0 111.561 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -106.06 8.16 32.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.074 0.464 . . . . 25.0 112.246 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.43 -29.69 63.85 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.342 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.99 2.8 37.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.79 -176.72 38.27 Favored Glycine 0 N--CA 1.434 -1.5 0 N-CA-C 107.168 -2.373 . . . . 25.0 107.168 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -120.84 145.75 47.28 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 113.565 -1.317 . . . . 25.0 113.736 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.7 178.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.814 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -132.85 -174.09 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.574 0.349 . . . . 25.0 110.395 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -58.53 -40.85 84.1 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -63.67 -38.87 92.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.05 -29.68 66.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.462 . . . . 25.0 110.911 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.38 -42.19 83.78 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.292 -0.88 . . . . 25.0 109.135 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG13 ' B' ' 75' ' ' VAL . 55.3 t -59.34 -40.64 81.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.837 -0.619 . . . . 25.0 112.034 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.14 -26.48 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 120.879 -1.138 . . . . 25.0 110.291 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.02 -27.8 64.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 25.0 110.258 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -84.16 -29.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 118.654 -1.219 . . . . 25.0 108.748 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.65 -20.72 62.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.885 -0.509 . . . . 25.0 111.654 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.47 70.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.332 0.587 . . . . 25.0 109.63 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.14 -37.25 66.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.93 77.13 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.952 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.48 -33.89 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.747 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -23.42 65.48 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.599 -0.688 . . . . 25.0 110.365 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -92.48 -46.17 7.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.95 -34.09 9.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.9 -16.3 60.06 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.829 -0.544 . . . . 25.0 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -41.08 -17.29 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.824 2.157 . . . . 25.0 116.824 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 121.249 -0.907 . . . . 25.0 111.991 179.256 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 121.119 0.485 . . . . 25.0 110.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -74.17 -34.35 63.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 25.0 109.851 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -29.85 70.39 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.99 -27.81 49.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.444 -0.785 . . . . 25.0 111.464 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -65.77 -22.26 66.57 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.76 -56.1 22.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.28 -26.0 67.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.48 -34.08 76.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 25.0 110.687 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.23 -38.52 63.5 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.146 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.74 -38.54 91.34 Favored 'General case' 0 C--O 1.205 -1.252 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.59 -39.47 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.01 82.59 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.28 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.35 -28.47 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.31 -61.61 1.77 Allowed 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 122.048 0.928 . . . . 25.0 109.801 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -14.72 63.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.852 -1.522 . . . . 25.0 111.907 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.26 80.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.319 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -112.9 5.76 17.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -66.73 155.41 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.02 50.89 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.195 -0.911 . . . . 25.0 112.847 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -67.05 -19.44 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.742 0.306 . . . . 25.0 111.504 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.61 -27.27 29.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 25.0 110.825 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.76 -30.9 4.08 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 110.198 -1.161 . . . . 25.0 110.198 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -117.56 150.95 38.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -93.08 -16.09 25.36 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.34 7.03 17.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.379 1.085 . . . . 25.0 110.675 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -140.44 166.1 25.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.192 -1.822 . . . . 25.0 107.768 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.1 mt -159.76 150.41 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 170.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -72.25 150.55 43.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -56.64 -42.24 78.52 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.597 0.221 . . . . 25.0 111.597 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -58.63 -37.0 74.96 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.31 -37.53 87.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.827 0.822 . . . . 25.0 110.255 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.12 -36.87 84.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.599 -0.728 . . . . 25.0 110.101 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -64.73 -32.58 74.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -79.01 -46.02 19.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.95 -30.58 67.99 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.486 -0.759 . . . . 25.0 111.416 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.75 -0.594 . . . . 25.0 110.459 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.11 -22.45 39.12 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.356 -174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.0 -33.93 61.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.65 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -97.67 -45.17 6.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -63.53 1.35 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.603 -172.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p 42.92 34.96 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.44 -48.99 0.07 OUTLIER Glycine 0 C--O 1.221 -0.707 0 CA-C-O 121.398 0.443 . . . . 25.0 112.777 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -13.71 61.55 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.6 -22.04 66.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.311 -0.859 . . . . 25.0 109.4 175.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -99.81 -5.54 28.4 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.884 1.326 . . . . 25.0 109.106 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.25 -5.81 39.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.604 -1.18 . . . . 25.0 111.059 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -72.79 125.18 26.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -112.57 -24.88 9.43 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.395 -0.19 . . . . 25.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.56 90.07 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.78 -33.68 65.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.557 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.44 -39.01 85.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.447 -0.783 . . . . 25.0 110.648 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -56.11 20.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.51 -30.36 48.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.03 -43.31 92.82 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.496 0.665 . . . . 25.0 109.646 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -73.39 -28.43 62.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.262 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -79.76 -40.33 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 122.504 0.322 . . . . 25.0 110.69 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.0 mtp -63.2 -44.55 95.03 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 121.314 -0.866 . . . . 25.0 109.922 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -68.96 -30.1 68.47 Favored 'General case' 0 C--O 1.205 -1.263 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.849 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.95 -48.09 75.3 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -31.38 72.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.343 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.26 -33.22 71.34 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.766 -0.584 . . . . 25.0 112.089 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.25 -33.36 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.89 0.852 . . . . 25.0 111.26 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -104.88 6.3 33.64 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.808 -170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -32.54 65.94 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 114.564 0.585 . . . . 25.0 114.564 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -82.07 1.33 36.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.945 0.35 . . . . 25.0 111.945 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.4 -163.79 39.63 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 109.026 -1.63 . . . . 25.0 109.026 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -129.91 146.88 51.62 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.458 -0.871 . . . . 25.0 112.937 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -147.32 177.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.3 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -130.69 -174.17 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -57.02 -39.71 75.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.427 ' O ' HG12 ' B' ' 75' ' ' VAL . 30.1 tt0 -64.54 -42.11 95.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.41 -33.24 72.7 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.493 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.11 -42.49 93.92 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.66 -0.65 . . . . 25.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -65.81 -28.22 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 O-C-N 121.815 -0.553 . . . . 25.0 111.397 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.41 -37.06 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.98 -35.29 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.6 -0.273 . . . . 25.0 111.229 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.43 -32.06 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.173 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.09 -20.65 63.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.954 -0.466 . . . . 25.0 111.694 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.32 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.32 -33.85 61.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -44.49 79.74 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.04 -33.53 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.395 -0.922 . . . . 25.0 109.84 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.53 64.64 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.891 -0.505 . . . . 25.0 110.846 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.29 -47.17 8.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.855 1.058 . . . . 25.0 113.855 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -103.35 -47.72 4.21 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -19.75 62.0 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 122.641 0.376 . . . . 25.0 110.879 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -41.03 -24.86 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 117.042 2.238 . . . . 25.0 117.042 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 CA--C 1.516 -0.328 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.44 -38.38 65.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.47 -28.97 70.33 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.603 1.335 . . . . 25.0 114.603 -174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.91 -25.97 56.52 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.836 -0.54 . . . . 25.0 111.307 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -75.3 -22.45 57.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.57 -55.94 24.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -59.15 -25.78 64.19 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -33.46 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.397 0.618 . . . . 25.0 110.762 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.7 p -74.91 -38.4 61.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.136 0.493 . . . . 25.0 111.02 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -37.15 85.99 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.95 -41.81 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -46.38 74.27 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.121 0.263 . . . . 25.0 111.217 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.37 -31.93 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -68.02 -57.37 6.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.19 0.995 . . . . 25.0 110.75 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -71.28 -14.73 62.32 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.236 -1.347 . . . . 25.0 111.415 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.57 81.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -99.06 -14.55 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.612 ' HA ' HD13 ' A' ' 28' ' ' LEU . 74.5 m -62.3 162.97 9.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.66 -10.53 53.1 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 121.086 -0.578 . . . . 25.0 112.234 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -64.32 -34.14 77.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.272 0.558 . . . . 25.0 111.054 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -73.27 -25.72 60.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.631 -1.168 . . . . 25.0 112.393 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.59 -28.05 4.81 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.678 -0.969 . . . . 25.0 110.678 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -119.58 157.18 28.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -8.44 49.66 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 115.405 1.631 . . . . 25.0 115.405 -173.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' B' ' 89' ' ' PHE . 29.8 m-85 -91.46 -9.5 44.32 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.388 1.089 . . . . 25.0 108.53 172.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -112.65 152.88 28.45 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.387 -1.733 . . . . 25.0 110.1 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 19' ' ' SER . 6.4 tp -147.61 169.28 19.96 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 76.2 p -95.36 157.33 15.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 118.723 0.692 . . . . 25.0 109.563 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.75 -46.4 90.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.249 -0.282 . . . . 25.0 111.322 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -54.89 -39.95 69.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.185 1.18 . . . . 25.0 114.185 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 28' ' ' LEU . 8.7 tp10 -62.3 -36.95 83.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 25.0 111.126 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 69' ' ' VAL . 68.1 mt -63.32 -37.13 86.06 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.527 -0.469 . . . . 25.0 110.695 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -67.23 -29.9 69.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 25.0 110.123 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.84 -45.7 16.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.672 -0.24 . . . . 25.0 111.372 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -29.63 67.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.76 -0.587 . . . . 25.0 110.735 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.76 -43.47 96.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.834 -0.541 . . . . 25.0 109.967 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -79.66 -22.37 43.6 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.01 -0.676 . . . . 25.0 111.234 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -27.15 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 25.0 111.802 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.66 -45.09 4.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -64.8 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.672 -0.411 . . . . 25.0 111.466 -173.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p 40.25 36.19 0.31 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.11 1.522 . . . . 25.0 115.11 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.34 -50.21 0.07 OUTLIER Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.979 0.766 . . . . 25.0 112.853 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -16.29 62.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.2 -25.28 68.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.177 176.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.99 -23.91 22.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.958 1.361 . . . . 25.0 108.655 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.07 -13.64 59.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.1 -1.409 . . . . 25.0 112.686 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.68 135.09 54.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.676 -0.238 . . . . 25.0 110.675 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -122.02 -27.17 4.63 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.16 91.81 3.75 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -33.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.767 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.37 -39.05 78.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.61 -0.836 . . . . 25.0 110.472 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.79 61.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.666 0.746 . . . . 25.0 109.333 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.65 -34.4 67.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.621 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.01 -45.07 87.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.205 0.526 . . . . 25.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -72.78 -31.23 64.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.587 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -78.8 -42.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.02 0.128 . . . . 25.0 111.326 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.9 mmt -65.51 -39.19 91.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.47 -0.769 . . . . 25.0 111.909 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.72 -31.16 70.9 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 120.497 -0.481 . . . . 25.0 109.829 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.35 -40.98 42.08 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -32.4 73.35 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.963 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -40.29 88.36 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.754 -0.591 . . . . 25.0 112.437 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -32.59 36.93 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.037 0.922 . . . . 25.0 110.286 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 9.77 42.49 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.51 -173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.07 65.98 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 114.421 0.528 . . . . 25.0 114.421 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -82.12 6.24 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.928 0.364 . . . . 25.0 111.283 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.18 -164.67 40.03 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.724 -2.15 . . . . 25.0 107.724 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 3.7 pt-20 -131.64 162.65 29.89 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.129 -0.535 . . . . 25.0 111.686 -170.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 33' ' ' LEU . 26.9 m -143.96 173.85 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.37 -1.286 . . . . 25.0 110.644 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -131.52 -174.1 3.31 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.0 -40.58 81.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.07 -38.21 87.73 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.176 -0.327 . . . . 25.0 110.737 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.17 -36.82 84.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.481 -0.762 . . . . 25.0 110.128 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -69.26 -41.06 77.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.158 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG13 HG13 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -60.34 -33.65 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.831 179.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.56 -40.16 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.64 -34.75 78.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 25.0 112.327 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -75.03 -33.69 29.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.324 -0.95 . . . . 25.0 108.592 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.34 -20.48 62.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.962 -0.461 . . . . 25.0 112.01 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.39 69.94 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.12 -37.3 61.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -46.21 76.6 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.798 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.43 -34.21 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.051 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.9 -27.91 61.28 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 121.041 -0.264 . . . . 25.0 110.359 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.7 -52.06 6.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -106.03 -36.39 6.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.791 1.404 . . . . 25.0 114.791 -167.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -81.89 -16.62 50.03 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.906 -0.496 . . . . 25.0 110.254 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -41.07 -20.43 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 118.194 2.665 . . . . 25.0 118.194 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 C--N 1.311 -1.092 0 C-N-CA 123.246 0.618 . . . . 25.0 111.449 178.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.334 0.588 . . . . 25.0 110.553 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.93 -39.91 94.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.836 -0.54 . . . . 25.0 110.306 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -29.34 69.79 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.18 -25.3 34.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.864 -0.735 . . . . 25.0 111.147 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -70.53 -21.93 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.26 -54.72 36.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.905 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -60.6 -24.9 65.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.9 76.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.239 0.542 . . . . 25.0 110.198 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 37.8 p -73.63 -38.35 65.05 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.927 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -36.73 83.27 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.55 -42.47 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -53.8 -46.12 70.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 123.279 0.362 . . . . 25.0 111.381 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' ND2' ' B' ' 13' ' ' ASN . 34.9 m -85.55 -32.01 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.754 0.65 . . . . 25.0 112.754 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -66.71 -56.77 9.06 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.419 1.104 . . . . 25.0 110.247 -175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.84 -15.65 61.16 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.908 -1.496 . . . . 25.0 112.229 -177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -36.31 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -101.8 -9.3 20.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.543 ' HA ' HD13 ' B' ' 28' ' ' LEU . 57.8 m -61.91 156.91 19.67 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.789 0.662 . . . . 25.0 112.789 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.79 -11.14 49.46 Favored Glycine 0 C--O 1.223 -0.583 0 CA-C-N 115.712 -0.676 . . . . 25.0 113.277 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.76 -34.04 75.13 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.661 0.743 . . . . 25.0 110.754 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.58 -26.74 58.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.327 -1.306 . . . . 25.0 111.932 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.68 -30.66 4.15 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.453 -1.059 . . . . 25.0 110.453 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -113.52 154.06 27.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.64 0.733 . . . . 25.0 110.978 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -16.21 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -172.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -102.34 7.2 40.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.83 0.824 . . . . 25.0 109.719 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -131.15 157.73 42.39 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.021 -1.445 . . . . 25.0 108.789 -174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -156.65 144.71 19.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 177.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.62 151.9 43.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.944 0.402 . . . . 25.0 110.837 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -55.03 -46.36 75.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.117 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -57.99 -36.65 72.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.456 ' HG2' HD11 ' B' ' 28' ' ' LEU . 27.2 tp10 -67.44 -38.95 85.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.541 0.686 . . . . 25.0 109.861 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.4 -37.75 87.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.691 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.41 -35.3 79.96 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -74.78 -49.65 20.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.57 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.68 -30.39 70.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.675 -0.641 . . . . 25.0 110.974 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.11 -42.48 96.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.042 -0.411 . . . . 25.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.94 -22.47 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.755 -0.778 . . . . 25.0 109.981 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -36.08 60.5 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.658 0.599 . . . . 25.0 111.3 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -93.21 -45.29 7.93 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -60.47 2.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.432 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m 44.9 35.04 1.36 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.49 -44.39 0.07 OUTLIER Glycine 0 C--O 1.224 -0.507 0 CA-C-O 121.689 0.605 . . . . 25.0 112.75 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.494 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -76.23 -9.1 58.37 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.589 -0.948 . . . . 25.0 112.989 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.504 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.31 -22.48 66.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.006 173.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -100.97 -36.97 8.83 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 122.888 1.328 . . . . 25.0 109.462 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -70.04 -16.57 63.17 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 114.632 -1.167 . . . . 25.0 111.174 -171.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.85 135.71 52.96 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 125.879 1.671 . . . . 25.0 108.871 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -120.42 -26.42 5.4 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -77.39 91.71 3.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -33.62 61.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.68 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.97 -40.72 78.69 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.716 -0.794 . . . . 25.0 110.547 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.68 49.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.565 0.698 . . . . 25.0 109.585 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.21 -33.98 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.74 -0.664 . . . . 25.0 111.564 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.78 -49.9 74.49 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.33 -32.42 66.51 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.92 -40.43 26.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.516 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.2 mmt -68.38 -34.59 76.33 Favored 'General case' 0 CA--C 1.509 -0.601 0 O-C-N 121.018 -1.051 . . . . 25.0 111.75 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -77.05 -27.23 54.31 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.548 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.87 -47.36 78.17 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 105.091 -2.189 . . . . 25.0 105.091 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -29.21 70.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.257 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -39.66 78.34 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.561 -0.712 . . . . 25.0 110.957 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -85.81 -27.6 25.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.349 0.595 . . . . 25.0 111.261 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.05 7.65 34.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.591 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.3 -32.63 60.63 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 115.019 0.767 . . . . 25.0 115.019 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -79.58 -1.49 38.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.032 0.416 . . . . 25.0 111.665 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.72 37.06 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 109.744 -1.342 . . . . 25.0 109.744 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.35 147.69 52.4 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -148.76 175.25 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.629 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.47 -174.16 3.15 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.24 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.76 -40.03 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.493 ' O ' HG12 ' B' ' 75' ' ' VAL . 14.9 tt0 -67.77 -40.62 83.99 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.004 -0.435 . . . . 25.0 109.995 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.41 -32.77 73.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.582 -0.698 . . . . 25.0 110.134 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.63 -41.42 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.513 -0.742 . . . . 25.0 110.381 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 72' ' ' GLN . 1.3 p -65.95 -26.89 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.774 -0.579 . . . . 25.0 111.061 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.15 -40.7 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.798 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.39 -33.33 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 119.589 -0.844 . . . . 25.0 109.499 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.7 60.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.35 70.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.685 -0.858 . . . . 25.0 108.685 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.64 -35.35 58.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 -46.79 75.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.738 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.63 -33.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.702 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.21 67.83 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 122.055 -0.403 . . . . 25.0 110.256 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.5 t -85.06 -51.65 6.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -100.96 -34.5 9.75 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -168.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -17.53 55.59 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 121.917 -0.489 . . . . 25.0 110.045 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -40.77 -24.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.663 2.468 . . . . 25.0 117.663 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.314 -0.956 0 C-N-CA 123.661 0.784 . . . . 25.0 112.342 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' B' ' 40' ' ' GLU . 80.3 p . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 120.476 0.179 . . . . 25.0 111.379 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -30.86 50.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 171.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -28.06 69.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -174.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.99 -27.48 49.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.73 -0.606 . . . . 25.0 111.028 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -70.23 -21.48 63.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.183 0.992 . . . . 25.0 109.291 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.69 -55.36 30.61 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.441 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -60.42 -26.71 66.91 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.59 -32.69 74.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.294 0.569 . . . . 25.0 110.684 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 46.9 p -74.91 -38.47 61.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.137 0.494 . . . . 25.0 111.04 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.78 -38.08 88.05 Favored 'General case' 0 C--O 1.207 -1.135 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -60.56 -41.16 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -46.28 75.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.826 0.079 . . . . 25.0 111.164 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -84.58 -30.42 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.73 -58.06 5.85 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.616 1.198 . . . . 25.0 110.724 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -70.62 -17.56 62.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 25.0 111.545 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.96 79.69 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.364 -0.534 . . . . 25.0 109.655 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -106.36 -3.9 20.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 55.5 m -62.15 156.5 21.55 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.349 1.611 . . . . 25.0 115.349 -172.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.62 50.27 Favored Glycine 0 C--O 1.223 -0.581 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.651 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -70.42 -32.2 69.72 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 122.37 -0.488 . . . . 25.0 111.148 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -26.4 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.8 -30.86 4.08 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-O 118.825 -0.986 . . . . 25.0 115.168 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -96.05 153.91 17.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 119.236 1.518 . . . . 25.0 111.35 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.65 -21.0 61.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.459 -1.246 . . . . 25.0 113.849 -173.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.59 13.96 23.66 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 122.88 0.472 . . . . 25.0 112.072 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -131.55 153.49 49.8 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 121.669 0.747 . . . . 25.0 109.476 -172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.7 mt -152.44 161.39 42.67 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 p -85.08 154.01 22.33 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.28 -42.47 86.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.484 0.183 . . . . 25.0 110.955 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -58.87 -35.48 73.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.11 -41.53 81.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.121 0.486 . . . . 25.0 109.799 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.624 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.13 -39.93 73.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.433 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -47.04 16.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.85 -30.81 71.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.311 -0.556 . . . . 25.0 110.317 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.47 -48.61 76.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 121.961 -0.462 . . . . 25.0 109.906 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.01 -25.0 47.7 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.588 -0.845 . . . . 25.0 111.528 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.74 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.191 -0.204 . . . . 25.0 110.77 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.45 -45.29 6.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 25.0 111.71 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -64.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -172.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m 45.57 33.83 1.5 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.25 -50.96 0.06 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-O 122.008 0.782 . . . . 25.0 113.046 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -11.49 60.27 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.02 -23.69 66.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.068 175.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.67 -30.52 16.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.647 1.213 . . . . 25.0 108.579 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.8 -7.99 44.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.144 -1.389 . . . . 25.0 113.646 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' H ' ' HG3' ' A' ' 48' ' ' GLN . 11.5 mt-30 -72.09 120.92 18.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -113.21 -23.29 10.03 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.345 -0.222 . . . . 25.0 111.075 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -81.67 89.64 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.74 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.021 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.94 -33.02 73.87 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.764 -0.774 . . . . 25.0 111.248 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 -56.79 10.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.62 0.724 . . . . 25.0 109.416 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.8 -30.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 113.005 0.742 . . . . 25.0 113.005 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.099 0.476 . . . . 25.0 110.068 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -83.36 -32.15 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.432 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.72 -40.47 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.322 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.19 -36.18 79.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.129 -0.982 . . . . 25.0 110.323 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -27.21 63.11 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 119.798 -0.761 . . . . 25.0 110.697 176.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.79 -47.7 61.91 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.45 72.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.883 -1.053 . . . . 25.0 111.494 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.8 -38.11 82.89 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.92 -0.487 . . . . 25.0 111.99 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -82.08 -32.71 30.18 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.028 0.918 . . . . 25.0 111.041 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -103.8 8.49 37.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.536 -1.211 . . . . 25.0 113.47 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.2 63.0 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 113.995 0.358 . . . . 25.0 113.995 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.34 0.25 42.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.43 -164.74 40.5 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.848 -1.701 . . . . 25.0 108.848 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.67 149.09 51.57 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -172.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -148.36 175.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.732 -1.122 . . . . 25.0 110.533 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.63 -174.06 3.19 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.553 0.341 . . . . 25.0 110.428 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.89 -38.6 76.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.931 0.715 . . . . 25.0 112.931 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -67.06 -39.13 86.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.83 -0.543 . . . . 25.0 110.022 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.72 -31.59 70.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.033 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.46 -44.94 73.77 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.275 -0.891 . . . . 25.0 110.524 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -63.83 -32.38 56.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 122.004 -0.435 . . . . 25.0 111.788 -176.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -79.92 -28.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.494 -0.754 . . . . 25.0 110.01 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -29.32 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -84.76 -33.93 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 118.997 -1.081 . . . . 25.0 109.791 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.37 -20.7 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.757 -0.589 . . . . 25.0 111.64 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.98 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.409 0.624 . . . . 25.0 109.798 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.82 -34.61 60.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -44.28 79.77 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.713 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.36 -32.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 119.527 -0.869 . . . . 25.0 110.563 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.26 -24.34 62.16 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -87.06 -51.56 5.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -103.51 -43.41 5.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.198 1.184 . . . . 25.0 114.198 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -20.73 64.74 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -40.96 -25.48 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 117.396 2.369 . . . . 25.0 117.396 176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--N 1.315 -0.931 0 C-N-CA 123.232 0.613 . . . . 25.0 112.393 176.748 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.89 -34.48 76.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.812 0.815 . . . . 25.0 109.502 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.88 -30.01 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.21 -24.34 37.5 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.639 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -22.28 65.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.97 -57.41 10.43 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.413 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ptp -60.12 -25.93 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.26 -32.98 74.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.535 0.683 . . . . 25.0 110.778 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.2 p -74.44 -38.22 63.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.435 -0.506 . . . . 25.0 111.122 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.31 86.45 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 175.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.44 -40.97 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -44.84 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -177.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.19 -29.38 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.16 -59.66 3.26 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 122.767 1.27 . . . . 25.0 111.192 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -68.89 -15.8 63.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.472 -1.695 . . . . 25.0 111.056 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.14 71.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.787 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -107.15 -3.58 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 84.6 p -62.11 149.93 39.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -171.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.06 11.27 32.48 Favored Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.07 -0.968 . . . . 25.0 115.342 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.48 -23.64 60.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.225 1.012 . . . . 25.0 108.916 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -104.84 -16.21 14.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.499 -1.682 . . . . 25.0 112.579 -173.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 -7.19 9.17 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 117.922 1.929 . . . . 25.0 117.922 172.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.21 169.8 11.38 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.126 0.963 . . . . 25.0 113.123 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -23.26 27.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -116.75 14.66 15.33 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.508 0.929 . . . . 25.0 113.508 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -124.92 165.49 18.0 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -175.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 1.8 mt -154.87 152.46 29.8 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 83.9 p -78.78 148.19 33.05 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' B' ' 69' ' ' VAL . 30.8 mttm -59.15 -39.08 81.3 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.225 -0.297 . . . . 25.0 111.391 -177.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.85 -39.56 85.59 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.49 -40.28 85.21 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.261 0.553 . . . . 25.0 110.195 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.37 -38.18 90.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.883 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -33.71 76.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.528 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -45.89 18.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.34 -29.34 68.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.751 -0.593 . . . . 25.0 110.094 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.89 -44.75 95.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.53 -23.32 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.716 -0.793 . . . . 25.0 111.002 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -31.9 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.706 0.289 . . . . 25.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 3.4 mm-40 -98.14 -44.93 6.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.87 -65.41 1.01 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.171 -175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m 47.22 32.43 2.09 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.24 -53.75 0.08 OUTLIER Glycine 0 C--O 1.221 -0.685 0 C-N-CA 121.402 -0.427 . . . . 25.0 113.716 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.63 -22.31 63.48 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.476 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.23 -23.03 67.24 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.965 -1.016 . . . . 25.0 110.8 177.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.78 7.86 24.36 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.502 1.144 . . . . 25.0 109.303 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.01 12.41 19.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.703 -1.135 . . . . 25.0 110.479 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.21 128.74 33.88 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -109.79 -28.89 8.56 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.58 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -81.17 92.17 6.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.55 -34.14 67.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.966 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.72 -38.98 80.61 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.417 -0.913 . . . . 25.0 110.686 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.06 46.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.771 . . . . 25.0 109.047 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.91 -32.44 54.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 115.723 -0.672 . . . . 25.0 112.35 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.14 -44.33 92.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.226 0.536 . . . . 25.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -72.71 -29.59 63.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.583 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -83.03 -39.89 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.9 mmt -67.57 -39.33 84.9 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.994 -1.066 . . . . 25.0 110.918 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -68.02 -28.66 67.6 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.708 -0.797 . . . . 25.0 109.728 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.3 -45.14 57.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -29.75 70.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.6 -0.727 . . . . 25.0 110.976 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.6 -38.4 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.08 0.467 . . . . 25.0 111.826 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.93 -35.29 38.01 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 122.155 0.978 . . . . 25.0 110.458 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -104.2 3.59 33.02 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 114.778 1.399 . . . . 25.0 114.778 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.23 -31.97 66.79 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.778 -0.249 . . . . 25.0 113.709 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -82.06 -2.28 51.32 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.86 -161.63 37.56 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 109.033 -1.627 . . . . 25.0 109.033 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.12 147.92 49.64 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 113.057 0.762 . . . . 25.0 113.057 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' B' ' 30' ' ' LYS . 7.5 m -144.02 -178.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.565 -1.198 . . . . 25.0 107.781 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -126.56 -174.21 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.162 0.437 . . . . 25.0 111.242 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.88 -41.35 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -61.16 -41.93 97.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -32.28 72.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.197 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.592 0.71 . . . . 25.0 109.549 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.01 -37.28 76.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.383 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.03 -36.86 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.19 -37.27 86.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.68 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.66 -29.27 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 119.584 -0.847 . . . . 25.0 109.0 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.58 60.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.01 70.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.45 -35.65 60.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.435 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -67.08 -46.33 74.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.67 -35.98 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.098 -0.641 . . . . 25.0 109.629 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.8 61.13 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.485 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.71 -45.13 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.067 1.136 . . . . 25.0 114.067 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -109.31 -34.78 6.45 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.51 -16.03 50.21 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 122.216 -0.302 . . . . 25.0 111.581 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -40.76 -19.27 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 119.559 3.17 . . . . 25.0 119.559 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 121.545 -0.722 . . . . 25.0 110.933 -178.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.222 -0.383 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.47 -31.86 69.17 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.272 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -27.85 69.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.624 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.28 -28.85 42.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 117.897 0.317 . . . . 25.0 111.583 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -22.42 62.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 122.287 1.042 . . . . 25.0 108.552 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.26 -57.91 9.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.1 ptp -57.53 -26.07 60.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.73 -32.28 73.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.636 0.731 . . . . 25.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 34.0 p -76.37 -37.54 57.07 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.986 -0.446 . . . . 25.0 111.051 -178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.35 80.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 175.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.39 -40.5 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -45.7 74.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.555 0.206 . . . . 25.0 111.555 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.32 -30.37 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.96 -55.5 14.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.168 0.985 . . . . 25.0 110.914 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -73.08 -14.39 61.39 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.146 -1.388 . . . . 25.0 111.557 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.61 75.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.2 -0.666 . . . . 25.0 109.2 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -109.99 -3.18 16.66 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.223 1.194 . . . . 25.0 114.223 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -68.71 161.25 28.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.383 -0.823 . . . . 25.0 110.702 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.1 -15.46 60.45 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.791 -0.719 . . . . 25.0 111.69 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -65.97 -27.94 68.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.656 -0.32 . . . . 25.0 110.217 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -74.32 -29.73 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.59 0.709 . . . . 25.0 110.687 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.55 -30.63 4.19 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.349 -1.1 . . . . 25.0 110.349 -175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.92 156.03 23.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.377 0.608 . . . . 25.0 110.376 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -16.44 52.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -109.76 5.86 23.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.563 0.697 . . . . 25.0 110.403 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.66 152.74 40.2 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.854 -1.066 . . . . 25.0 108.131 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 tp -156.17 148.72 23.74 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -74.33 152.85 39.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.862 0.363 . . . . 25.0 110.529 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -57.11 -44.11 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 25.0 110.474 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -59.36 -39.58 83.7 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.84 -39.0 92.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.208 0.528 . . . . 25.0 109.873 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.28 -38.39 90.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.461 . . . . 25.0 110.432 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -65.92 -35.86 81.78 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.245 -0.28 . . . . 25.0 110.245 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.9 -42.91 47.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.08 -31.31 65.97 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.666 -0.646 . . . . 25.0 111.045 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.22 -44.21 97.07 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.779 -0.575 . . . . 25.0 110.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.28 -22.57 48.06 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.992 -0.683 . . . . 25.0 111.164 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -29.19 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -95.82 -45.4 6.99 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.465 . . . . 25.0 111.743 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m 45.64 33.33 1.4 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.84 -44.65 0.08 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-O 121.584 0.547 . . . . 25.0 112.952 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -75.21 -10.73 59.73 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.414 -1.05 . . . . 25.0 113.412 -177.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.17 -22.73 66.37 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.141 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.79 -30.92 10.57 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 124.25 1.976 . . . . 25.0 110.775 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -69.67 -14.4 62.79 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 124.467 2.079 . . . . 25.0 116.312 -174.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.49 146.82 51.61 Favored 'General case' 0 CA--C 1.482 -1.659 0 O-C-N 120.5 -1.375 . . . . 25.0 109.963 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.32 -32.29 2.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 113.416 -1.72 . . . . 25.0 114.286 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.44 93.83 3.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 25.0 110.414 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.52 -34.0 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.529 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.85 -39.37 79.94 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.581 -0.848 . . . . 25.0 110.616 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.19 58.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.513 0.673 . . . . 25.0 109.524 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.51 -33.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.64 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.91 -48.06 75.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.016 0.436 . . . . 25.0 110.277 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -69.16 -30.02 68.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 25.0 111.075 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.46 -44.17 21.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.739 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.194 -0.941 . . . . 25.0 110.868 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.72 -23.01 61.55 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.86 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -47.69 33.98 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -26.95 68.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.858 -1.064 . . . . 25.0 112.111 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -36.98 72.58 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.991 -0.684 . . . . 25.0 111.363 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.17 -28.77 22.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.526 0.679 . . . . 25.0 111.88 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -107.09 8.33 30.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.876 -172.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.99 -31.97 65.86 Favored Glycine 0 C--N 1.318 -0.428 0 N-CA-C 114.279 0.471 . . . . 25.0 114.279 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -87.46 9.74 19.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.86 -176.8 36.67 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 106.916 -2.473 . . . . 25.0 106.916 171.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -119.87 144.62 47.29 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.337 -1.432 . . . . 25.0 112.772 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.26 179.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.156 -0.929 . . . . 25.0 109.5 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.19 -174.11 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.09 -41.65 79.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.459 0.54 . . . . 25.0 112.459 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.06 -41.38 98.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.721 -0.474 . . . . 25.0 109.721 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.63 -31.75 71.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 25.0 111.273 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.93 -41.16 87.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.535 0.683 . . . . 25.0 109.318 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 HG13 ' B' ' 75' ' ' VAL . 41.6 t -59.53 -38.6 76.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.603 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.47 -37.82 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.56 -37.54 87.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.922 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.54 -31.23 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 119.508 -0.877 . . . . 25.0 109.261 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.18 -21.0 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.8 70.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -76.92 -35.24 57.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.881 -0.599 . . . . 25.0 109.695 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -65.8 -47.73 74.11 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.389 -0.369 . . . . 25.0 111.782 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.42 -33.81 64.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.532 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.16 -27.96 64.95 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 116.618 -0.264 . . . . 25.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.7 t -85.36 -51.27 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.503 0.668 . . . . 25.0 112.633 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -101.39 -49.5 4.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -168.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -70.21 -16.22 63.03 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 119.361 -0.352 . . . . 25.0 110.5 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -40.53 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 118.443 2.757 . . . . 25.0 118.443 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--N 1.315 -0.892 0 C-N-CA 123.881 0.872 . . . . 25.0 112.064 177.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.74 -29.25 69.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.615 0.721 . . . . 25.0 110.114 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -28.18 68.54 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.77 -28.92 40.31 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.017 -0.673 . . . . 25.0 112.025 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -22.09 64.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.275 1.036 . . . . 25.0 109.449 177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.02 -58.77 6.07 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 114.948 -1.024 . . . . 25.0 112.302 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.7 ptp -57.13 -28.81 63.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.91 -33.98 76.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 25.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -72.79 -37.94 67.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.546 -0.461 . . . . 25.0 111.083 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -37.05 83.39 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.53 -38.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.909 0.336 . . . . 25.0 111.909 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -85.77 -32.08 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.02 -57.23 6.49 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 122.443 1.116 . . . . 25.0 110.352 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.47 -14.19 62.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.803 -1.544 . . . . 25.0 111.238 -176.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.3 76.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -99.09 -13.93 19.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.3 m -64.18 155.41 31.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.655 -0.653 . . . . 25.0 111.619 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.43 -20.47 30.09 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 111.648 -0.581 . . . . 25.0 111.648 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -64.74 -34.59 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -105.62 41.74 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 124.981 2.324 . . . . 25.0 116.673 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.46 -30.7 9.12 Favored Glycine 0 C--N 1.286 -2.219 0 CA-C-N 112.653 -2.067 . . . . 25.0 114.193 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -143.93 164.88 29.31 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 121.855 0.836 . . . . 25.0 112.795 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -76.8 -15.5 59.71 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 125.76 1.624 . . . . 25.0 112.095 -170.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -110.24 6.52 22.65 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.212 1.006 . . . . 25.0 109.105 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -127.41 152.08 47.98 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.891 -1.504 . . . . 25.0 107.792 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.44 149.0 23.62 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.6 153.47 28.0 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.29 -0.564 . . . . 25.0 111.318 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -56.79 -40.42 75.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.901 -0.591 . . . . 25.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -55.33 -44.66 76.09 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.18 -38.11 81.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.464 0.65 . . . . 25.0 110.203 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.31 -38.19 90.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 25.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.61 -32.81 74.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.551 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -82.9 -39.78 21.06 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.84 -32.47 67.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.636 -0.665 . . . . 25.0 110.389 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.597 -0.689 . . . . 25.0 110.433 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.48 -22.36 51.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.043 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -31.65 22.51 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.22 -45.4 8.26 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.26 -61.86 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.892 -174.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 46.24 34.7 2.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.459 1.281 . . . . 25.0 114.459 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.6 -43.3 0.08 OUTLIER Glycine 0 C--O 1.225 -0.428 0 CA-C-O 121.428 0.46 . . . . 25.0 112.531 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.85 -14.48 61.09 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.364 -1.08 . . . . 25.0 113.353 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.508 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.24 -20.86 66.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.216 -0.902 . . . . 25.0 109.94 173.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.19 -26.01 13.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 123.489 1.614 . . . . 25.0 109.305 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.5 48.69 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.651 -1.159 . . . . 25.0 110.918 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.94 132.88 48.85 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 125.695 1.598 . . . . 25.0 109.278 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -116.35 -29.33 6.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -76.68 92.91 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.21 0.528 . . . . 25.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.76 -35.76 74.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.929 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.41 -31.49 71.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 25.0 111.154 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -54.77 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.837 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.48 -32.54 58.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.61 -44.33 86.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.292 0.568 . . . . 25.0 110.041 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -31.4 70.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.934 -177.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -77.52 -43.91 29.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.071 -0.513 . . . . 25.0 109.829 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.18 -40.73 96.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.472 -0.768 . . . . 25.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -71.58 -25.15 62.07 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.527 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.41 56.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 105.454 -2.054 . . . . 25.0 105.454 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -33.31 73.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.781 -1.1 . . . . 25.0 111.367 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.1 -33.64 74.91 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.717 -0.614 . . . . 25.0 112.356 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -86.64 -31.58 21.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.883 0.849 . . . . 25.0 111.807 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -103.47 4.58 36.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.977 -1.01 . . . . 25.0 113.527 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -30.82 73.82 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 116.055 -0.52 . . . . 25.0 113.64 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -0.98 48.67 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.72 -178.31 39.46 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -119.93 144.24 47.55 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 112.908 -1.646 . . . . 25.0 112.7 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -143.06 -179.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.144 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.42 -174.2 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 122.407 0.283 . . . . 25.0 110.578 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -57.34 -38.64 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.261 0.553 . . . . 25.0 109.652 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.51 -32.0 69.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.478 . . . . 25.0 110.397 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -68.22 -44.43 75.75 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.296 -0.878 . . . . 25.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -62.77 -31.53 52.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.031 -0.418 . . . . 25.0 111.912 -177.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.48 -27.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 121.382 -0.823 . . . . 25.0 110.289 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -66.72 -29.95 70.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.43 -31.35 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 119.006 -1.077 . . . . 25.0 109.407 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.66 62.8 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.056 -0.403 . . . . 25.0 111.564 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.87 74.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.432 0.634 . . . . 25.0 109.454 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 31.3 mt -75.74 -34.0 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -45.2 78.29 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.729 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.66 -32.3 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.299 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.36 -26.53 63.77 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 122.144 -0.347 . . . . 25.0 110.364 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.41 -51.07 6.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -105.15 -38.39 6.57 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -170.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -20.33 62.21 Favored 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -20.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 123.878 0.871 . . . . 25.0 112.717 173.029 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 121.339 0.59 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.94 -32.39 40.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 25.0 110.308 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -33.69 73.69 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.45 -28.81 56.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -66.06 -23.08 66.47 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 121.86 0.838 . . . . 25.0 109.932 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.17 29.63 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 114.789 -1.096 . . . . 25.0 113.846 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.3 ptp -61.23 -24.72 66.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.14 -33.45 75.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.17 0.51 . . . . 25.0 110.246 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.8 p -76.17 -38.76 56.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 25.0 111.535 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.43 87.35 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.34 -39.52 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.41 -46.17 73.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.922 0.139 . . . . 25.0 111.037 -177.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.7 m -85.53 -30.28 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.98 -58.6 5.17 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.46 1.124 . . . . 25.0 111.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.16 -14.59 62.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.171 -1.377 . . . . 25.0 111.17 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.81 79.79 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.489 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -103.65 -10.32 18.48 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 28' ' ' LEU . 85.1 p -58.65 141.89 51.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.91 8.32 26.11 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.032 0.773 . . . . 25.0 115.032 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.27 -29.66 64.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.349 1.071 . . . . 25.0 110.371 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 22' ' ' GLU . 1.6 pm0 -95.34 -16.91 22.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.058 -1.883 . . . . 25.0 110.692 -175.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.45 -7.77 7.47 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 117.105 1.602 . . . . 25.0 117.105 173.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -137.74 133.87 34.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.547 1.173 . . . . 25.0 112.486 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -72.45 -18.4 61.7 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.675 -0.641 . . . . 25.0 111.803 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -82.35 -2.06 51.7 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.89 0.852 . . . . 25.0 111.552 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -130.55 170.97 13.55 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 113.907 -1.497 . . . . 25.0 109.808 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.1 tp -154.57 143.57 21.02 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 168.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.499 ' H ' HD12 ' A' ' 28' ' ' LEU . 97.4 p -67.64 148.51 51.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.46 -44.91 89.43 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.176 0.444 . . . . 25.0 111.217 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -55.05 -40.43 70.28 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 28' ' ' LEU . 24.6 tp10 -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 25.0 111.609 -175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.56 -37.79 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.875 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -35.25 79.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.492 -0.322 . . . . 25.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.66 -40.36 20.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.74 -29.66 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.451 -0.781 . . . . 25.0 110.167 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.25 -43.59 94.42 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.071 -0.393 . . . . 25.0 110.103 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -80.12 -22.78 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.606 -0.683 . . . . 25.0 110.977 -175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.58 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.754 0.279 . . . . 25.0 111.754 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.18 -45.12 6.01 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -58.84 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 25.0 111.754 -174.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.92 24.57 0.37 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.77 -56.33 0.11 Allowed Glycine 0 C--O 1.228 -0.269 0 CA-C-O 121.76 0.644 . . . . 25.0 112.828 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -70.39 -21.59 62.84 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -173.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.11 -27.18 66.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.219 -0.9 . . . . 25.0 110.12 176.261 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.84 -25.67 14.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.717 1.246 . . . . 25.0 109.492 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -68.53 -9.86 51.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.348 -1.296 . . . . 25.0 112.306 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.85 140.84 58.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 122.64 0.376 . . . . 25.0 111.652 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -123.15 -20.89 5.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.93 96.15 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.147 0.499 . . . . 25.0 110.086 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.66 -34.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.065 0.546 . . . . 25.0 112.37 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.63 -35.66 73.04 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.899 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.67 50.5 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.472 -0.491 . . . . 25.0 109.85 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.4 -34.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.287 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -65.88 -42.6 90.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.971 0.415 . . . . 25.0 110.797 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -78.84 -28.84 44.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.5 t -80.91 -42.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 122.064 0.146 . . . . 25.0 110.784 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.24 -0.984 . . . . 25.0 109.57 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -20.69 63.95 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.777 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -78.42 -50.57 11.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -30.62 71.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.459 -0.792 . . . . 25.0 111.122 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.88 -36.86 83.25 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.922 -0.486 . . . . 25.0 112.271 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -84.38 -32.08 24.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.945 0.878 . . . . 25.0 111.747 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -105.28 2.09 28.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.41 -1.268 . . . . 25.0 113.999 -169.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.35 63.91 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.541 0.577 . . . . 25.0 114.541 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.28 -9.41 58.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.837 0.318 . . . . 25.0 111.266 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.69 -161.2 37.09 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-O 122.663 1.146 . . . . 25.0 110.549 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 8.1 pt-20 -137.55 153.54 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.333 1.234 . . . . 25.0 114.333 -173.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.53 -178.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.367 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -127.43 -174.11 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.825 0.284 . . . . 25.0 110.627 -174.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.06 -39.7 79.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 75' ' ' VAL . 27.4 tt0 -65.79 -39.1 90.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.808 -0.558 . . . . 25.0 109.732 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -34.18 76.83 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.803 -0.759 . . . . 25.0 110.14 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.39 -43.02 82.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.918 -0.489 . . . . 25.0 110.931 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -62.2 -30.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.045 -0.409 . . . . 25.0 111.394 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.58 -39.96 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.95 -34.56 77.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.433 -0.349 . . . . 25.0 111.76 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.09 -34.89 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 119.393 -0.923 . . . . 25.0 109.509 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.63 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.979 -0.451 . . . . 25.0 111.826 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.82 74.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.16 -36.71 69.39 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -47.5 71.8 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.694 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.12 -33.56 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.05 -0.66 . . . . 25.0 110.381 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -33.97 62.65 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.562 -0.455 . . . . 25.0 109.878 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.17 -48.16 16.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -105.27 -46.35 4.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.314 21.4 m120 -73.56 -16.5 61.26 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 124.962 1.305 . . . . 25.0 112.919 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -47.69 -15.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.801 2.149 . . . . 25.0 116.801 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 CA--C 1.558 1.251 0 CA-C-O 121.945 0.879 . . . . 25.0 110.163 176.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.581 0.705 . . . . 25.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.86 -38.96 69.99 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.342 -0.849 . . . . 25.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -31.42 72.61 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.34 -30.14 60.17 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -70.29 -22.76 62.82 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.45 -54.26 34.64 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -177.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.7 ptp -59.74 -26.11 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.01 -32.61 74.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.424 0.631 . . . . 25.0 110.845 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -77.75 -35.38 51.87 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.379 -0.528 . . . . 25.0 111.216 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.61 -35.76 81.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.4 -39.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.21 74.8 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 123.295 0.372 . . . . 25.0 111.754 -176.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG13 ' ND2' ' B' ' 13' ' ' ASN . 33.1 m -86.82 -29.13 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.46 -58.75 3.85 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 122.594 1.187 . . . . 25.0 111.158 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.63 -14.11 62.35 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.834 -1.53 . . . . 25.0 111.049 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.22 75.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.036 -0.728 . . . . 25.0 109.036 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -107.57 -3.32 19.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.487 ' HA ' HD13 ' B' ' 28' ' ' LEU . 78.2 p -61.51 154.79 23.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -174.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.39 9.66 52.75 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.343 0.897 . . . . 25.0 115.343 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -70.85 -29.46 65.6 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.567 1.175 . . . . 25.0 109.526 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' B' ' 22' ' ' GLU . 2.0 pm0 -98.01 -15.0 20.25 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.868 -1.969 . . . . 25.0 112.039 -174.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.13 7.74 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 117.439 1.735 . . . . 25.0 117.439 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.17 151.16 51.97 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.745 2.128 . . . . 25.0 116.745 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -26.87 68.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -175.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.37 9.2 23.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.07 157.37 29.07 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.518 HD12 ' H ' ' B' ' 29' ' ' SER . 2.1 tp -147.95 141.12 25.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.518 ' H ' HD12 ' B' ' 28' ' ' LEU . 79.2 p -70.44 146.43 50.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' B' ' 69' ' ' VAL . 32.4 mttm -56.11 -42.75 77.3 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -56.03 -38.12 70.11 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' B' ' 28' ' ' LEU . 14.1 tp10 -69.46 -40.12 77.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.375 0.607 . . . . 25.0 110.115 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.87 -38.26 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.75 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -60.01 -38.77 83.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.487 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -82.73 -41.25 19.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.41 -31.22 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.849 -0.74 . . . . 25.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -44.15 92.29 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.989 -0.444 . . . . 25.0 110.843 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.55 -22.61 43.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.584 -0.846 . . . . 25.0 111.172 -173.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -31.11 56.29 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.174 0.296 . . . . 25.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -96.96 -44.56 6.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -66.53 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.803 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.86 30.37 1.2 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.96 -56.96 0.08 OUTLIER Glycine 0 C--O 1.224 -0.496 0 CA-C-O 122.057 0.809 . . . . 25.0 113.468 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.505 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.99 -26.97 66.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.598 175.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.59 -23.23 17.73 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.661 1.22 . . . . 25.0 109.419 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 -12.35 60.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.494 -1.23 . . . . 25.0 111.867 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.88 141.42 58.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.661 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -123.08 -23.86 4.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -74.7 95.49 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 25.0 110.891 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.88 -34.74 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.37 -37.01 74.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.234 -0.986 . . . . 25.0 110.123 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.62 -50.21 53.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.57 -36.11 75.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.404 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.48 -46.98 74.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.991 0.424 . . . . 25.0 111.031 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -76.96 -24.79 52.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -86.18 -40.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 122.53 0.332 . . . . 25.0 110.614 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.8 mmm -62.96 -41.36 99.51 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.361 -0.936 . . . . 25.0 108.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -72.51 -24.57 61.17 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -70.92 -46.79 61.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -32.85 74.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.614 -1.176 . . . . 25.0 110.4 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.96 -34.3 77.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -85.34 -32.31 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.904 0.859 . . . . 25.0 111.477 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -103.68 3.67 34.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.912 -1.04 . . . . 25.0 113.1 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.09 -31.41 72.83 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.004 0.761 . . . . 25.0 115.004 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -80.46 -1.13 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.735 0.303 . . . . 25.0 111.543 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.71 -160.46 36.57 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.921 -1.672 . . . . 25.0 108.921 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -142.69 148.18 36.91 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -174.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.443 HG11 ' HE2' ' B' ' 30' ' ' LYS . 10.5 m -146.49 -179.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.205 -1.361 . . . . 25.0 108.575 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -127.2 -174.26 3.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.404 0.547 . . . . 25.0 112.089 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -56.96 -41.95 79.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -62.94 -39.06 93.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -31.49 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.267 -0.573 . . . . 25.0 111.221 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -68.12 -40.49 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 75' ' ' VAL . 39.7 t -59.09 -37.36 67.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.564 -0.743 . . . . 25.0 111.572 176.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.27 -38.53 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.74 -36.06 83.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.796 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.77 -32.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.133 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.09 -20.57 60.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.74 -36.78 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -43.85 78.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.199 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -68.27 -34.14 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.829 -0.748 . . . . 25.0 109.909 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.4 68.52 Favored 'General case' 0 C--O 1.207 -1.159 0 C-N-CA 119.826 -0.749 . . . . 25.0 109.378 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.61 -42.6 24.59 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -112.67 -33.07 6.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -81.83 -21.16 37.77 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -43.88 -15.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 118.135 2.642 . . . . 25.0 118.135 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 CA--C 1.539 0.529 0 O-C-N 121.987 -0.446 . . . . 25.0 111.411 177.358 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p . . . . . 0 C--O 1.218 -0.596 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -79.7 -18.79 50.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.287 0.565 . . . . 25.0 110.375 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -25.3 66.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -31.18 44.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.242 0.544 . . . . 25.0 111.97 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -25.13 67.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.674 1.226 . . . . 25.0 108.105 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.14 -57.91 9.84 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.41 -0.806 . . . . 25.0 112.488 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -59.26 -27.62 65.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.09 -34.12 76.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 25.0 110.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.2 p -76.2 -36.42 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 111.584 -177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.83 -37.57 88.07 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 108.875 -0.787 . . . . 25.0 108.875 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.69 -39.62 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -47.33 76.98 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 116.677 -0.238 . . . . 25.0 111.283 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 4' ' ' LEU . 21.7 m -81.85 -31.55 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.0 -57.79 6.19 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 122.455 1.121 . . . . 25.0 109.838 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.918 -1.492 . . . . 25.0 111.197 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -98.08 -4.49 35.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -67.83 156.29 37.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.8 41.8 Favored Glycine 0 C--O 1.223 -0.553 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.825 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -67.48 -27.96 67.45 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.585 -0.362 . . . . 25.0 110.405 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -77.97 -27.62 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.668 0.747 . . . . 25.0 110.784 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.6 -30.77 4.14 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 -175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -114.78 160.14 19.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.471 0.653 . . . . 25.0 109.98 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.82 -15.09 26.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.142 1.377 . . . . 25.0 112.087 -168.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -108.58 5.12 24.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.231 1.015 . . . . 25.0 108.803 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.79 157.15 43.62 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -155.16 160.21 40.74 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -82.32 152.2 26.39 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.152 -0.619 . . . . 25.0 109.333 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -58.28 -39.89 80.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.505 0.193 . . . . 25.0 111.137 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -59.21 -35.36 73.49 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.77 -39.83 76.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.525 0.679 . . . . 25.0 109.777 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.05 -38.33 90.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.411 -0.813 . . . . 25.0 110.665 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.07 -41.67 79.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.229 -0.441 . . . . 25.0 110.859 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -82.66 -39.43 22.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.71 -30.25 69.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.13 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.978 -0.451 . . . . 25.0 110.692 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.86 -22.56 36.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.084 -0.646 . . . . 25.0 110.348 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -36.39 55.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.99 -45.16 8.07 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.2 tt -85.49 -58.77 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 25.0 112.123 -172.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p 45.78 26.75 0.39 Allowed 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 117.063 2.246 . . . . 25.0 117.063 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.74 -56.36 0.09 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.853 0.696 . . . . 25.0 113.405 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -70.41 -17.79 63.02 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -174.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.96 -25.83 68.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.987 -1.006 . . . . 25.0 109.392 175.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.09 -16.55 17.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 122.875 1.321 . . . . 25.0 109.489 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.02 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.649 -1.16 . . . . 25.0 110.802 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -67.83 129.72 40.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.416 -0.356 . . . . 25.0 111.195 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -115.61 -21.39 9.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.473 0.309 . . . . 25.0 111.452 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -75.65 97.87 3.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 25.0 110.998 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.15 -34.07 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.965 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.4 -37.02 74.4 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.244 -0.982 . . . . 25.0 110.032 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -50.6 57.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.546 -0.538 . . . . 25.0 109.546 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.88 -35.75 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.76 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.64 -42.26 95.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.951 0.405 . . . . 25.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -79.66 -29.31 40.84 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.6 -40.38 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 122.094 0.158 . . . . 25.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtm -63.54 -41.88 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.264 -0.975 . . . . 25.0 109.56 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -72.54 -19.58 61.48 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.498 -0.481 . . . . 25.0 112.261 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -49.04 17.94 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -32.2 73.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.128 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -66.42 -34.46 78.01 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 121.765 -0.585 . . . . 25.0 112.126 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -85.69 -32.7 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.728 0.775 . . . . 25.0 112.104 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -106.67 4.56 27.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 25.0 113.595 -169.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.6 67.32 Favored Glycine 0 CA--C 1.508 -0.403 0 CA-C-N 116.46 -0.336 . . . . 25.0 113.661 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.08 2.48 39.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.75 -178.34 35.09 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 106.48 -2.648 . . . . 25.0 106.48 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 148.95 48.32 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 113.223 -1.489 . . . . 25.0 113.996 -169.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.49 -178.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 113.879 -1.51 . . . . 25.0 109.727 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -131.1 -174.13 3.3 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.118 -0.364 . . . . 25.0 110.919 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.01 -38.78 73.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.8 tt0 -66.37 -40.85 89.98 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -177.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.02 -31.55 70.44 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.593 -0.692 . . . . 25.0 110.462 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -67.73 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.671 -0.643 . . . . 25.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.55 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -63.52 -28.41 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 121.873 -0.517 . . . . 25.0 111.227 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.57 -40.08 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.68 -34.26 77.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.53 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.41 -33.21 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 119.389 -0.924 . . . . 25.0 109.578 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -20.67 63.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.769 -0.582 . . . . 25.0 111.926 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.55 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.58 -37.18 71.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -45.39 76.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.773 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.9 m -68.91 -32.04 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.212 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.81 -25.45 59.04 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.626 -0.671 . . . . 25.0 110.511 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -84.09 -52.66 6.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -104.55 -42.12 5.52 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -170.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 121.678 -0.639 . . . . 25.0 109.33 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.9 -21.9 0.16 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.575 1.694 . . . . 25.0 115.575 175.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.314 -0.957 0 CA-C-N 115.597 -0.729 . . . . 25.0 112.52 174.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 121.375 0.607 . . . . 25.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.38 -42.13 88.37 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.78 -0.575 . . . . 25.0 112.516 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.47 HD22 HG11 ' A' ' 14' ' ' VAL . 2.2 pt? -68.27 -28.47 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.96 -30.59 31.64 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.873 -0.731 . . . . 25.0 111.702 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.9 m -67.63 -22.39 65.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.548 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.24 -56.74 14.12 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.699 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.2 ptp -61.42 -24.16 66.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.97 -32.24 73.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.517 0.675 . . . . 25.0 110.626 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.8 p -75.08 -38.69 61.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.236 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -37.24 86.03 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.17 -42.01 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.7 77.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -176.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -85.49 -29.93 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -68.14 -59.51 3.18 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.134 0.969 . . . . 25.0 110.112 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.63 -19.08 65.69 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.093 -1.412 . . . . 25.0 110.991 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.67 91.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.383 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -105.43 -4.16 21.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.54 157.61 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.1 1.518 . . . . 25.0 115.1 -174.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.81 -8.65 31.91 Favored Glycine 0 CA--C 1.508 -0.35 0 CA-C-N 114.99 -1.004 . . . . 25.0 112.672 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.69 -38.04 86.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.27 41.76 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 125.267 2.461 . . . . 25.0 116.031 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 -30.74 6.66 Favored Glycine 0 C--N 1.286 -2.206 0 CA-C-N 112.141 -2.299 . . . . 25.0 115.248 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.09 157.2 46.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.315 1.055 . . . . 25.0 112.33 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -66.14 -16.33 63.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.489 1.515 . . . . 25.0 113.957 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -107.35 11.12 29.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.265 0.555 . . . . 25.0 110.284 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.32 149.24 52.1 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.771 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.0 mt -154.41 157.28 38.25 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.3 p -76.27 156.47 33.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -58.15 -42.56 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.964 -0.294 . . . . 25.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -59.35 -38.75 81.17 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.96 -36.19 83.14 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.332 0.586 . . . . 25.0 110.809 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.28 -38.34 87.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.546 . . . . 25.0 110.371 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 -34.13 76.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.62 -42.3 52.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.675 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.31 -30.81 62.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.728 -0.608 . . . . 25.0 110.952 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.34 -42.02 99.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.79 -0.569 . . . . 25.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.05 -22.29 45.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.602 -174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -32.32 44.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.438 0.461 . . . . 25.0 111.469 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -98.47 -45.13 6.23 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 114.09 1.144 . . . . 25.0 114.09 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.688 HD22 ' H ' ' B' ' 44' ' ' PHE . 1.5 tt -81.49 -59.03 2.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.062 -174.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 46.73 26.08 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.78 -57.65 0.1 OUTLIER Glycine 0 C--O 1.226 -0.387 0 CA-C-O 121.937 0.743 . . . . 25.0 113.232 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.688 ' H ' HD22 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -68.2 -23.19 64.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -174.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.487 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.78 -24.94 67.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.167 -0.924 . . . . 25.0 110.59 177.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.74 -19.63 14.67 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.723 1.249 . . . . 25.0 109.332 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.88 -2.54 37.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.491 -1.231 . . . . 25.0 112.051 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -70.75 143.52 51.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.775 0.321 . . . . 25.0 111.351 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -116.73 -27.21 6.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.609 0.364 . . . . 25.0 111.812 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -76.17 92.66 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 25.0 110.948 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.51 -35.07 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.05 -38.16 75.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.282 -0.967 . . . . 25.0 109.939 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.45 59.01 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -64.41 -36.03 76.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.535 -0.466 . . . . 25.0 110.361 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.27 -48.43 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.895 0.379 . . . . 25.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -75.14 -28.99 60.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -86.68 -40.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.968 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.1 mtm -65.6 -33.42 75.86 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 118.918 -1.113 . . . . 25.0 110.077 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -75.95 -28.64 58.01 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.805 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.6 -48.6 66.35 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 106.29 -1.744 . . . . 25.0 106.29 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -30.15 71.35 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.891 -1.049 . . . . 25.0 110.796 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.62 -38.08 77.1 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.531 -0.731 . . . . 25.0 112.583 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.33 -31.39 26.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.721 0.772 . . . . 25.0 110.701 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -100.43 6.34 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.015 -0.993 . . . . 25.0 112.024 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.74 -26.76 67.31 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.745 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.65 2.95 35.01 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 123.899 0.411 . . . . 25.0 111.552 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.32 -179.1 34.11 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 107.861 -2.095 . . . . 25.0 107.861 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -117.52 141.22 48.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 112.9 -1.65 . . . . 25.0 114.471 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 m -148.16 -178.76 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.52 -1.218 . . . . 25.0 111.15 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -133.04 -174.16 3.4 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -171.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.29 -39.52 72.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.6 -38.3 90.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.79 -38.5 91.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 25.0 110.154 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -63.69 -40.87 97.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 25.0 109.119 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.55 HG12 HG13 ' A' ' 75' ' ' VAL . 18.1 t -58.4 -38.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.025 175.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.17 -39.19 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.95 -35.4 79.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -74.94 -33.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.2 -20.61 61.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.73 -35.02 75.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.08 -37.36 72.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -42.26 80.41 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.04 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.521 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.9 m -68.48 -34.94 68.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.192 -1.003 . . . . 25.0 110.044 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.9 60.21 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.71 -0.618 . . . . 25.0 110.343 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.63 -43.36 13.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.98 -34.57 3.5 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.782 1.401 . . . . 25.0 114.782 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -69.17 -17.92 63.87 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 177.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -15.64 0.15 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.714 1.746 . . . . 25.0 115.714 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 123.149 0.58 . . . . 25.0 111.892 172.712 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.236 0.342 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.69 -46.79 89.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.25 -32.73 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.03 -23.09 36.1 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 119.921 -0.712 . . . . 25.0 111.464 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -74.4 -22.27 59.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.34 -57.24 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 175.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.417 ' H ' ' HG2' ' A' ' 8' ' ' MET . 14.8 ptp -60.94 -24.42 66.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.0 -31.35 72.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.405 0.622 . . . . 25.0 110.082 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 31.0 p -77.44 -37.65 51.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.085 -0.385 . . . . 25.0 111.182 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -37.07 86.35 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.17 -42.73 94.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -46.19 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.103 0.252 . . . . 25.0 111.282 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -84.67 -31.27 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.94 -56.96 7.95 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.619 1.199 . . . . 25.0 110.613 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -70.85 -18.1 62.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.55 -1.659 . . . . 25.0 111.418 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.63 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.784 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.99 -5.96 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -60.82 154.71 21.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 115.396 1.628 . . . . 25.0 115.396 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 6.07 49.83 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.454 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.28 -28.38 64.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.212 -0.581 . . . . 25.0 110.867 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -26.53 23.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.85 -30.87 4.06 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-O 118.792 -1.004 . . . . 25.0 115.58 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.05 156.38 16.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.401 1.6 . . . . 25.0 111.149 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.34 -21.74 58.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 -174.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.64 11.87 29.95 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.232 0.539 . . . . 25.0 111.728 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -132.77 154.74 49.95 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -171.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.5 mt -152.8 158.54 42.39 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -83.86 151.49 25.1 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -57.24 -40.06 76.82 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -58.36 -34.33 70.56 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -69.16 -38.98 79.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.052 0.453 . . . . 25.0 110.038 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.79 -37.95 89.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.555 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.87 -38.05 86.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 25.0 110.228 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -42.81 24.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.18 -30.88 70.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.568 . . . . 25.0 109.767 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.14 -45.18 89.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.772 -0.58 . . . . 25.0 109.793 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -78.09 -22.48 48.89 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.135 -0.626 . . . . 25.0 111.585 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 -27.16 40.89 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.79 -44.89 5.4 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -86.3 -61.03 1.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.799 -175.509 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.73 23.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.69 -56.61 0.11 Allowed Glycine 0 C--O 1.226 -0.374 0 CA-C-O 121.848 0.693 . . . . 25.0 112.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.48 -19.54 62.93 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 114.065 1.135 . . . . 25.0 114.065 -173.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -25.48 68.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.18 -0.918 . . . . 25.0 109.62 176.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -102.35 -18.56 15.36 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.731 1.253 . . . . 25.0 109.367 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.82 -12.62 61.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.73 -1.123 . . . . 25.0 110.419 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.42 133.51 52.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.643 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -117.83 -21.81 8.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.551 0.34 . . . . 25.0 111.411 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -74.52 97.21 3.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.42 0.629 . . . . 25.0 111.503 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.25 -34.24 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 25.0 112.062 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -70.34 -37.98 74.77 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.336 -0.946 . . . . 25.0 110.168 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.99 60.64 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.65 -35.88 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.709 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.25 -40.61 94.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.093 -0.379 . . . . 25.0 110.799 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -80.93 -31.36 35.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -81.53 -39.79 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 mtm -63.57 -42.78 98.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.42 -0.912 . . . . 25.0 110.062 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.38 -32.02 71.8 Favored 'General case' 0 C--O 1.204 -1.312 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.134 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -48.48 71.68 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -32.83 74.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.389 -0.823 . . . . 25.0 110.879 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.05 -35.12 76.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.61 -35.53 33.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.072 0.939 . . . . 25.0 110.907 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -103.55 6.28 37.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.26 -32.44 67.75 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 114.801 0.68 . . . . 25.0 114.801 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -86.25 3.33 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.968 0.359 . . . . 25.0 111.968 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.54 -166.05 42.03 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 107.513 -2.235 . . . . 25.0 107.513 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -128.98 146.83 50.87 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.622 -0.789 . . . . 25.0 112.777 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.65 178.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.28 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -131.92 -174.22 3.36 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.562 0.345 . . . . 25.0 110.551 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.28 -41.62 76.18 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.16 -38.77 91.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.33 -31.18 69.46 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.242 -0.912 . . . . 25.0 110.744 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -40.59 85.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.611 0.719 . . . . 25.0 109.19 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.732 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.5 -37.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.309 176.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.02 -41.24 81.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.26 -34.64 78.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.157 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.75 -34.16 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.307 -0.957 . . . . 25.0 109.085 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -20.7 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.941 -0.475 . . . . 25.0 111.542 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.76 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.61 -36.75 73.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -45.42 75.22 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.593 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.8 m -68.95 -32.62 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 119.648 -0.821 . . . . 25.0 110.792 -177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.44 62.35 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.01 -0.431 . . . . 25.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.99 -51.83 6.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -101.9 -50.21 3.74 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.611 -169.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -61.25 -20.72 63.16 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.464 -0.334 . . . . 25.0 111.392 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -41.1 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 118.092 2.627 . . . . 25.0 118.092 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.4 t80 . . . . . 0 CA--C 1.556 1.189 0 O-C-N 121.507 -0.745 . . . . 25.0 111.759 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.224 0.535 . . . . 25.0 110.247 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.08 -38.87 92.16 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.551 -0.718 . . . . 25.0 109.487 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -28.34 68.58 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.14 -25.26 34.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.881 -0.728 . . . . 25.0 111.111 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.3 m -69.07 -22.25 64.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.13 -58.31 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 25.0 112.017 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -58.81 -27.53 65.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.28 -35.94 76.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.648 0.737 . . . . 25.0 110.817 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.6 p -73.63 -38.55 65.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.745 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -36.89 85.13 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.055 -0.72 . . . . 25.0 109.055 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.62 -40.97 90.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -45.05 79.29 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 123.442 0.464 . . . . 25.0 111.35 -175.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.2 -33.21 9.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.962 0 CA-C-O 123.848 1.785 . . . . 25.0 113.664 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.26 -56.17 7.43 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 122.789 1.281 . . . . 25.0 111.762 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -69.37 -17.16 63.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.976 -1.465 . . . . 25.0 110.178 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.88 81.43 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -101.68 -8.97 21.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.6 m -63.45 161.82 13.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.91 -1.64 48.19 Favored Glycine 0 C--O 1.221 -0.664 0 CA-C-N 115.946 -0.57 . . . . 25.0 112.552 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -72.79 -28.4 62.56 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.297 -0.531 . . . . 25.0 112.285 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -26.69 37.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.79 -31.21 3.99 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.348 -0.842 . . . . 25.0 113.745 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -96.78 148.8 22.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.696 1.248 . . . . 25.0 110.405 171.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -16.4 61.97 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.45 6.64 30.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.13 0.491 . . . . 25.0 110.797 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -117.76 148.9 41.61 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 122.159 0.98 . . . . 25.0 110.335 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -149.15 150.24 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -79.6 153.08 29.69 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -57.28 -44.62 84.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 121.156 -0.218 . . . . 25.0 111.051 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.2 -38.91 71.62 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.97 -36.46 82.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.431 0.634 . . . . 25.0 110.86 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.19 -36.07 82.42 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.619 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -63.95 -37.77 88.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.29 -42.64 44.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.678 -174.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.27 -31.9 68.06 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.87 -0.732 . . . . 25.0 109.816 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.19 95.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.752 -0.592 . . . . 25.0 110.249 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.52 -22.75 53.99 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.876 -0.73 . . . . 25.0 110.893 -174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.77 -32.6 25.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.99 -38.87 12.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.568 0.699 . . . . 25.0 112.227 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.48 -62.75 1.42 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.855 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m 46.92 33.4 2.21 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.9 -47.54 0.07 OUTLIER Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.325 -0.464 . . . . 25.0 112.78 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.45 -15.49 61.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -176.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.521 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.093 174.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -103.03 -28.49 11.96 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 123.452 1.596 . . . . 25.0 111.131 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.05 -22.23 61.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.801 -1.545 . . . . 25.0 113.774 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.91 133.5 51.03 Favored 'General case' 0 C--O 1.186 -2.246 0 C-N-CA 124.214 1.005 . . . . 25.0 110.465 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -116.89 -28.54 6.27 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -76.09 91.22 3.1 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.48 -35.28 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.858 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -38.83 79.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.496 -0.882 . . . . 25.0 110.288 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.35 -52.15 55.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.349 0.595 . . . . 25.0 109.4 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -67.11 -33.88 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.615 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.46 -46.75 81.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.382 0.61 . . . . 25.0 110.281 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.58 -28.47 61.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.874 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -82.78 -41.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 122.435 0.294 . . . . 25.0 111.309 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.2 mmt -66.31 -39.12 89.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.047 -1.033 . . . . 25.0 109.976 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -70.53 -28.02 64.61 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 119.543 -0.863 . . . . 25.0 110.473 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -67.78 -46.97 70.47 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.889 -1.893 . . . . 25.0 105.889 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -33.6 74.67 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 114.826 -1.079 . . . . 25.0 110.703 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -69.99 -35.69 74.6 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 113.289 0.848 . . . . 25.0 113.289 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.17 -34.79 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.13 0.967 . . . . 25.0 110.502 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -100.67 6.85 44.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.507 -1.224 . . . . 25.0 112.934 -172.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.64 66.62 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 114.585 0.594 . . . . 25.0 114.585 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 0.63 31.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.715 0.265 . . . . 25.0 111.715 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.3 -159.6 34.18 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.07 151.33 51.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.291 -0.455 . . . . 25.0 112.125 -173.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.63 174.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 108.998 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.5 -174.22 3.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.54 -44.04 84.88 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -61.18 -41.81 97.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.01 -29.23 69.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.883 0.373 . . . . 25.0 111.263 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -69.04 -40.62 78.48 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.924 -0.71 . . . . 25.0 109.487 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.732 HG12 HG13 ' A' ' 75' ' ' VAL . 86.6 t -61.16 -36.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.122 177.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.99 -39.11 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.55 0.691 . . . . 25.0 109.405 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.55 -35.74 80.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.921 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.0 -30.19 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.277 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.86 61.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.516 0.674 . . . . 25.0 109.184 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.57 -35.37 46.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 25.0 109.887 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -46.4 76.59 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -64.51 -36.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.79 63.39 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.32 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.59 -49.77 9.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -106.91 -34.48 7.2 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -82.63 -16.04 49.83 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.791 -0.568 . . . . 25.0 110.253 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.9 -19.32 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 118.864 2.913 . . . . 25.0 118.864 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 C--N 1.316 -0.89 0 C-N-CA 123.337 0.655 . . . . 25.0 111.341 179.318 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 120.742 0.306 . . . . 25.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.03 -29.68 64.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -29.68 69.98 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -174.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.81 -23.64 36.38 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.481 -0.488 . . . . 25.0 111.976 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.455 -0.942 . . . . 25.0 108.455 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.529 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.89 -55.82 20.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.176 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.0 ptp -57.64 -25.76 60.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.23 -31.31 72.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.581 0.705 . . . . 25.0 110.984 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.9 p -77.06 -37.55 54.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 25.0 111.171 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.36 80.51 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 HG23 ' HD2' ' A' ' 16' ' ' HIS . 27.8 mt -60.59 -42.98 93.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 25.0 109.775 177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.06 74.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.433 0.458 . . . . 25.0 111.495 -176.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -86.83 -31.08 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.964 0.728 . . . . 25.0 112.964 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.88 -56.68 7.16 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.519 1.152 . . . . 25.0 110.421 -175.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' HD2' HG23 ' A' ' 12' ' ' ILE . 54.3 m-70 -71.91 -16.63 62.12 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.804 -1.544 . . . . 25.0 111.969 -177.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.74 92.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.053 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -100.52 -7.43 24.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.427 ' HA ' HD13 ' A' ' 28' ' ' LEU . 65.1 m -64.35 153.73 37.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.546 0.688 . . . . 25.0 110.634 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 -18.89 40.01 Favored Glycine 0 C--O 1.224 -0.502 0 C-N-CA 120.813 -0.708 . . . . 25.0 112.294 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.01 -25.85 68.03 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.507 -0.408 . . . . 25.0 111.29 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.45 -25.89 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.396 0.617 . . . . 25.0 111.114 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.48 -25.96 5.29 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.375 -0.69 . . . . 25.0 111.375 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -120.77 154.56 35.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.203 0.525 . . . . 25.0 110.66 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -8.43 57.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -171.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.93 6.92 25.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -128.99 154.79 46.27 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.295 -1.32 . . . . 25.0 109.433 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.7 tp -158.35 141.81 15.18 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 p -72.67 149.15 44.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.148 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -54.17 -43.14 70.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -56.4 -38.1 71.06 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.74 -39.25 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 25.0 109.822 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.08 -37.6 88.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.949 -0.568 . . . . 25.0 110.399 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.91 -30.91 71.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.549 0.214 . . . . 25.0 110.489 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.76 -46.25 13.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.642 -0.254 . . . . 25.0 111.389 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.34 -31.45 71.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.782 -0.574 . . . . 25.0 110.735 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.84 -42.75 99.86 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.059 -0.401 . . . . 25.0 109.955 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.84 -22.8 36.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.671 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -32.51 66.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.528 -0.306 . . . . 25.0 110.49 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.89 -45.13 6.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -65.69 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -171.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m 42.68 35.64 0.72 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.62 -52.23 0.06 OUTLIER Glycine 0 C--O 1.223 -0.541 0 CA-C-O 122.044 0.802 . . . . 25.0 112.809 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -13.68 61.36 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -175.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.02 -24.04 67.38 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.192 -0.913 . . . . 25.0 108.952 176.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.19 -23.45 17.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.921 1.343 . . . . 25.0 109.061 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 -11.3 59.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.1 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.15 139.26 58.66 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.299 -0.25 . . . . 25.0 110.89 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -123.24 -30.61 3.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.292 -0.255 . . . . 25.0 111.273 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.26 87.83 4.94 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.8 -0.444 . . . . 25.0 109.8 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.84 -34.16 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.43 -30.93 70.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 25.0 111.144 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -56.36 4.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.132 0.491 . . . . 25.0 110.029 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.43 -32.81 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.95 -44.85 88.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.21 0.528 . . . . 25.0 110.084 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -32.45 72.29 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.853 -176.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.83 -44.19 32.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 116.175 -0.466 . . . . 25.0 109.806 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.623 -0.673 . . . . 25.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -23.55 56.72 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.003 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -42.94 62.04 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.904 -1.888 . . . . 25.0 105.904 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -29.43 70.76 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.56 -1.2 . . . . 25.0 110.598 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.17 -33.28 74.17 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.29 -0.881 . . . . 25.0 111.504 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -87.27 -30.9 20.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.786 0.803 . . . . 25.0 111.84 -178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -109.53 5.79 23.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.854 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -30.15 71.16 Favored Glycine 0 CA--C 1.505 -0.553 0 CA-C-N 115.919 -0.582 . . . . 25.0 113.562 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.91 -0.84 41.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.09 -163.88 39.82 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.876 -1.29 . . . . 25.0 109.876 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -127.78 147.81 50.42 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.911 -1.145 . . . . 25.0 112.071 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.45 176.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.15 -174.12 3.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -56.42 -41.44 76.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.922 0.342 . . . . 25.0 111.922 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -61.62 -43.13 99.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.136 -0.32 . . . . 25.0 110.136 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.5 67.14 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.041 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -66.45 -40.81 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.458 -0.776 . . . . 25.0 109.295 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.07 -37.26 76.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.178 -0.464 . . . . 25.0 111.244 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.82 -37.35 73.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.35 -36.64 83.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.114 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.12 -30.96 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 119.501 -0.88 . . . . 25.0 108.689 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.08 -20.59 62.34 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.78 69.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.84 -37.98 58.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -45.16 82.21 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.333 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.4 m -69.99 -30.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.738 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.36 -24.78 60.37 Favored 'General case' 0 C--O 1.197 -1.662 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -86.85 -51.37 6.11 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -108.37 -49.41 3.19 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -169.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -63.18 -20.1 65.1 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 118.979 -0.534 . . . . 25.0 111.514 178.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -41.34 -18.32 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.677 2.843 . . . . 25.0 118.677 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 123.878 0.871 . . . . 25.0 111.187 178.035 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.245 0.545 . . . . 25.0 110.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -37.07 86.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.311 0.577 . . . . 25.0 109.661 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.16 -31.33 72.11 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -175.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -81.8 -22.66 37.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.099 -0.64 . . . . 25.0 111.228 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -73.15 -22.03 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.75 -54.39 44.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.59 . . . . 25.0 112.456 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.33 -35.99 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.447 0.641 . . . . 25.0 110.79 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.3 p -71.82 -38.87 70.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.145 0.498 . . . . 25.0 110.99 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.77 -36.7 84.29 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.71 -38.19 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -46.59 77.28 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.135 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.87 -29.04 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.28 -57.0 5.89 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.271 1.034 . . . . 25.0 110.735 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -72.37 -15.07 61.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.98 -1.464 . . . . 25.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -117.91 7.42 12.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -67.97 158.99 31.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.622 0.725 . . . . 25.0 109.582 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.32 63.01 Favored Glycine 0 CA--C 1.505 -0.589 0 C-N-CA 120.501 -0.857 . . . . 25.0 111.811 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.73 -22.32 63.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.628 -0.337 . . . . 25.0 110.426 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.72 -27.44 50.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.447 0.641 . . . . 25.0 110.071 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.63 -28.52 4.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.588 -0.733 . . . . 25.0 111.295 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -116.06 149.57 38.71 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.496 1.141 . . . . 25.0 113.059 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -26.73 67.44 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 126.621 1.968 . . . . 25.0 115.441 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -114.55 17.71 17.15 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 122.475 1.131 . . . . 25.0 110.441 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -133.92 154.91 50.75 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.456 -1.702 . . . . 25.0 109.306 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' B' ' 32' ' ' GLU . 7.4 tp -156.33 142.68 18.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.1 p -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.752 0.31 . . . . 25.0 110.399 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -55.15 -44.44 75.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.497 -0.32 . . . . 25.0 111.524 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -58.75 -37.95 77.37 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' B' ' 28' ' ' LEU . 1.3 tp10 -69.06 -37.21 78.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.457 0.646 . . . . 25.0 110.528 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.79 -37.32 87.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.366 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.9 -35.7 79.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.77 -0.195 . . . . 25.0 110.82 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -79.31 -40.19 31.0 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.716 -0.394 . . . . 25.0 112.054 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.32 -31.69 69.11 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.417 -0.802 . . . . 25.0 109.731 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.59 -43.37 97.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.057 -0.402 . . . . 25.0 110.484 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.84 -22.69 45.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.994 -0.682 . . . . 25.0 111.016 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -32.03 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 25.0 111.21 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -97.29 -45.32 6.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -66.93 0.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.51 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 45.46 32.76 1.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -52.32 0.06 OUTLIER Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.795 0.664 . . . . 25.0 112.845 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -13.81 61.65 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.483 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.82 -23.56 67.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.405 175.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.93 -14.92 19.33 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.849 1.309 . . . . 25.0 109.24 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.69 -7.03 59.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.55 -1.205 . . . . 25.0 112.211 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.4 139.98 55.8 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.262 -0.274 . . . . 25.0 110.745 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -122.0 -31.85 3.82 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.237 -0.29 . . . . 25.0 110.872 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -78.05 93.8 4.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.07 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.713 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.35 -38.49 78.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.562 -0.855 . . . . 25.0 110.316 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -54.42 38.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.557 0.694 . . . . 25.0 109.356 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.82 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.97 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.48 -45.04 80.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 25.0 110.406 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -71.5 -27.82 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.42 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.3 -42.99 20.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.29 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.66 -38.64 89.89 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.361 -0.837 . . . . 25.0 110.555 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -22.28 61.48 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.934 -0.706 . . . . 25.0 110.975 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 -47.51 27.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -29.38 70.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 25.0 111.923 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -35.88 73.48 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.613 -0.68 . . . . 25.0 111.923 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -85.52 -31.0 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.852 0.834 . . . . 25.0 111.892 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -104.43 6.52 35.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.577 -1.192 . . . . 25.0 112.85 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.52 71.79 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.03 -0.532 . . . . 25.0 114.409 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.04 4.41 30.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.129 0.465 . . . . 25.0 111.636 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.01 -162.62 37.85 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 109.305 -1.518 . . . . 25.0 109.305 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.83 146.03 51.47 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.72 -0.74 . . . . 25.0 112.947 -172.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.29 176.84 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.779 -0.646 . . . . 25.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.67 -174.18 3.23 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.51 0.324 . . . . 25.0 110.434 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.23 -38.67 71.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.422 ' HB2' HG11 ' A' ' 83' ' ' VAL . 18.9 tt0 -67.48 -39.78 85.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.072 0.463 . . . . 25.0 109.885 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.26 -29.81 66.68 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.129 -0.629 . . . . 25.0 110.142 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.94 -44.32 69.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.183 -0.948 . . . . 25.0 110.482 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -63.14 -31.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 122.026 -0.421 . . . . 25.0 111.95 -177.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.31 -28.66 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 121.364 -0.835 . . . . 25.0 109.73 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.37 -27.93 68.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 25.0 110.16 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.26 -32.6 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 118.994 -1.082 . . . . 25.0 109.857 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.66 63.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.99 -0.444 . . . . 25.0 111.585 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 -32.46 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.42 0.629 . . . . 25.0 109.743 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.88 -35.05 62.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.382 -0.599 . . . . 25.0 109.382 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.54 77.99 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 112.211 0.449 . . . . 25.0 112.211 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.8 m -68.4 -33.55 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.108 -1.037 . . . . 25.0 110.279 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.39 65.28 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.948 -0.47 . . . . 25.0 109.749 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -81.53 -43.29 18.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.072 1.138 . . . . 25.0 114.072 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -114.38 -41.94 3.39 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -68.14 -20.58 64.91 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 119.151 -0.452 . . . . 25.0 111.91 -177.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -47.17 -15.64 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 117.052 2.241 . . . . 25.0 117.052 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 CA--C 1.544 0.723 0 O-C-N 121.845 -0.534 . . . . 25.0 111.623 174.356 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.54 -24.91 67.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.953 0.406 . . . . 25.0 110.181 172.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -31.27 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -80.02 -23.82 41.2 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.312 0.577 . . . . 25.0 112.536 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.09 -20.76 59.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 122.275 1.036 . . . . 25.0 108.574 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.63 -56.36 17.92 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.266 1.209 . . . . 25.0 114.266 -176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -33.91 63.12 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.268 0.627 . . . . 25.0 112.223 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.564 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 60.5 p -72.66 -38.12 67.73 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.883 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.02 -36.86 83.05 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 108.48 -0.934 . . . . 25.0 108.48 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.73 -39.12 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -46.58 77.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.403 0.149 . . . . 25.0 111.403 -178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -83.29 -31.8 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 121.212 0.529 . . . . 25.0 112.215 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.14 -56.72 6.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.393 1.092 . . . . 25.0 111.162 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.83 -16.13 62.7 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.635 -1.62 . . . . 25.0 110.924 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.55 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -106.68 -1.96 22.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.459 ' HA ' HD13 ' A' ' 28' ' ' LEU . 93.5 p -66.76 161.44 23.61 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -174.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.65 62.78 Favored Glycine 0 N--CA 1.462 0.37 0 C-N-CA 120.978 -0.63 . . . . 25.0 113.823 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -68.8 -29.14 67.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.275 0.56 . . . . 25.0 111.408 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.91 0.13 27.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 25.0 110.906 -173.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.61 -25.99 5.24 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 118.194 2.037 . . . . 25.0 118.194 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -128.94 152.74 48.23 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.99 -28.51 68.32 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 113.955 -1.475 . . . . 25.0 114.455 -171.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -110.12 13.89 23.06 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.455 1.121 . . . . 25.0 110.368 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.35 162.91 29.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.787 -1.551 . . . . 25.0 107.814 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.8 tp -158.88 154.06 25.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.441 ' H ' HD12 ' A' ' 28' ' ' LEU . 81.5 p -79.32 149.67 31.68 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.09 -40.47 81.22 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.013 -0.43 . . . . 25.0 111.887 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -58.67 -38.45 78.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.93 -40.13 79.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.31 -40.58 96.78 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.846 -0.615 . . . . 25.0 110.79 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.12 -38.39 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.011 0.434 . . . . 25.0 110.067 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.64 -44.83 40.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.166 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.72 -31.31 70.29 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.198 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.47 -41.98 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.884 -0.51 . . . . 25.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.06 -22.26 36.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.914 -0.714 . . . . 25.0 110.376 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.51 56.49 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.649 -0.25 . . . . 25.0 110.915 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.66 -45.01 8.27 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 -63.33 1.32 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.365 -174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.8 t 46.09 29.81 0.85 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.199 1.555 . . . . 25.0 115.199 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.8 -55.19 0.09 OUTLIER Glycine 0 C--N 1.333 0.392 0 CA-C-O 121.555 0.531 . . . . 25.0 113.245 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -174.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -24.68 67.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.705 -1.134 . . . . 25.0 110.262 177.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -100.13 -19.81 16.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.546 1.165 . . . . 25.0 109.018 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.66 -13.51 61.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -63.47 138.98 58.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.455 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -123.52 -24.7 4.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.892 0.477 . . . . 25.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -73.54 100.94 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 25.0 111.909 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.06 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 123.357 0.663 . . . . 25.0 112.195 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.95 -39.72 75.89 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.321 -0.951 . . . . 25.0 110.391 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -50.0 64.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.66 -35.61 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.544 -0.463 . . . . 25.0 110.147 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.41 -43.35 85.97 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.238 -0.585 . . . . 25.0 111.289 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.23 -34.85 49.02 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.23 -39.33 28.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.764 -0.198 . . . . 25.0 110.796 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.14 -36.45 77.47 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 118.612 -1.235 . . . . 25.0 110.52 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -26.57 61.25 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.901 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -48.51 62.78 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.727 -1.582 . . . . 25.0 106.727 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -32.43 73.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.641 -0.709 . . . . 25.0 111.097 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.35 -38.18 87.03 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.002 -0.436 . . . . 25.0 111.616 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.15 -29.12 25.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.154 0.502 . . . . 25.0 111.249 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.43 5.38 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -171.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.08 -32.67 67.39 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 114.474 0.55 . . . . 25.0 114.474 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -80.84 -2.96 49.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.46 -169.61 46.09 Favored Glycine 0 N--CA 1.434 -1.482 0 N-CA-C 109.311 -1.516 . . . . 25.0 109.311 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.81 145.28 50.29 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 113.396 -1.402 . . . . 25.0 112.007 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.9 -179.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.517 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.23 -174.08 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.24 -0.281 . . . . 25.0 110.24 -174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -57.23 -40.98 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' O ' HG12 ' A' ' 75' ' ' VAL . 22.1 tt0 -63.9 -40.23 96.02 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.7 -36.18 78.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.864 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -64.02 -41.23 97.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.782 -0.574 . . . . 25.0 110.638 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -63.51 -25.94 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' B' ' 76' ' ' VAL . 43.1 t -73.85 -41.22 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.75 -34.9 78.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.47 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -78.59 -33.68 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 119.693 -0.803 . . . . 25.0 109.927 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -20.55 61.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.948 -0.47 . . . . 25.0 111.388 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.52 0.676 . . . . 25.0 109.325 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -69.77 -37.41 76.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.79 -45.48 74.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.751 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.51 -32.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.783 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.2 -27.51 64.55 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 120.156 -0.618 . . . . 25.0 109.72 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.42 -53.21 6.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -101.44 -38.23 8.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 -169.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -19.52 62.34 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -40.95 -25.39 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.877 2.177 . . . . 25.0 116.877 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.315 -0.929 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 176.576 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.032 0.444 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.64 -37.63 88.05 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.0 -22.44 39.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 119.321 -0.951 . . . . 25.0 111.697 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 m -69.84 -22.36 63.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.564 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.22 -58.72 6.09 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.76 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 118.122 0.419 . . . . 25.0 111.843 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.28 -35.53 71.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.492 . . . . 25.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 49.3 p -72.16 -40.25 68.12 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 25.0 110.931 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -37.93 87.52 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.8 -41.01 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -46.46 72.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.27 -30.78 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.07 -54.47 25.34 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.755 1.264 . . . . 25.0 110.34 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -68.41 -28.9 67.49 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 113.245 -1.798 . . . . 25.0 110.363 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.37 78.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 120.506 -0.477 . . . . 25.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -101.87 -1.11 32.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.463 ' HA ' HD13 ' B' ' 28' ' ' LEU . 79.3 p -67.1 166.03 14.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.87 -10.73 64.31 Favored Glycine 0 C--O 1.222 -0.643 0 C-N-CA 120.745 -0.74 . . . . 25.0 112.848 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -61.12 -35.19 76.37 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-O 121.73 0.776 . . . . 25.0 110.842 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -75.53 -25.79 57.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.425 -1.261 . . . . 25.0 112.064 -176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -24.86 5.45 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -126.57 159.57 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -8.08 43.63 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.455 1.28 . . . . 25.0 114.455 -174.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -100.64 -7.14 24.22 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -115.57 155.73 27.06 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.391 -1.731 . . . . 25.0 106.984 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.9 tp -159.66 148.62 17.83 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.676 -1.972 . . . . 25.0 105.676 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 81.0 p -73.89 151.73 40.37 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.253 -176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -57.94 -44.6 87.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.378 -0.201 . . . . 25.0 110.983 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -55.39 -40.42 71.36 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.54 -39.21 91.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.619 0.723 . . . . 25.0 110.144 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.74 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.814 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -67.11 -32.87 74.31 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.923 -0.311 . . . . 25.0 110.287 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -75.79 -46.66 29.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.463 0.171 . . . . 25.0 111.463 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.69 -31.73 71.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.671 -0.643 . . . . 25.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.812 -0.555 . . . . 25.0 110.701 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.08 -22.45 42.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.799 -174.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -34.25 40.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.664 0.268 . . . . 25.0 111.089 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -94.56 -45.1 7.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.327 -176.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t 44.38 39.05 2.84 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 -46.19 0.06 OUTLIER Glycine 0 C--O 1.222 -0.633 0 CA-C-O 121.507 0.504 . . . . 25.0 112.78 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -16.0 62.79 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.836 -0.803 . . . . 25.0 112.909 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -65.46 -23.42 66.91 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.82 176.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.36 -13.6 23.12 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 123.251 1.5 . . . . 25.0 108.85 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.99 -5.49 56.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.203 -1.362 . . . . 25.0 112.077 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.403 ' HB3' HG11 ' B' ' 54' ' ' VAL . 27.8 mt-30 -72.84 123.84 24.19 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.177 -0.327 . . . . 25.0 110.309 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -110.64 -24.34 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.492 -0.13 . . . . 25.0 110.909 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -85.66 85.85 7.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.85 -33.44 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.907 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.93 -44.36 96.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.356 0.598 . . . . 25.0 110.6 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.81 24.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.997 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' B' ' 48' ' ' GLN . 27.9 m -67.98 -24.79 30.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -173.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.44 -45.17 63.33 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.72 -30.44 69.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.317 -1.31 . . . . 25.0 112.126 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -81.8 -42.15 19.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.917 -0.583 . . . . 25.0 110.702 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.34 -36.03 80.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 120.889 -1.132 . . . . 25.0 110.672 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -76.47 -19.91 57.54 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.565 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.45 -48.77 30.96 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -32.87 73.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.501 -1.227 . . . . 25.0 111.155 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -39.13 90.26 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.506 -0.746 . . . . 25.0 112.756 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -84.86 -29.38 25.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.693 0.759 . . . . 25.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -99.92 6.06 45.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.264 -0.88 . . . . 25.0 111.687 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.24 63.97 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.324 -0.398 . . . . 25.0 113.901 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.13 0.29 32.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.87 -167.69 34.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.596 -1.802 . . . . 25.0 108.596 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.14 153.69 49.12 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -170.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -146.7 179.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.641 -1.163 . . . . 25.0 107.991 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.7 -174.9 3.25 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.29 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -63.76 -40.74 97.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.47 -30.43 70.14 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.26 -0.275 . . . . 25.0 110.601 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -67.93 -41.33 82.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 75' ' ' VAL . 53.0 t -60.91 -37.32 76.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.542 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 76' ' ' VAL . 86.7 t -68.37 -39.63 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.72 -36.53 84.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.99 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.83 -30.12 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.649 -0.82 . . . . 25.0 109.49 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.89 -20.67 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.952 -0.467 . . . . 25.0 111.948 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.2 71.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 173.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.38 -35.54 61.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.8 m -66.8 -44.0 82.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.0 m -68.2 -33.15 59.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.077 -1.049 . . . . 25.0 110.227 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.82 63.84 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 122.053 -0.404 . . . . 25.0 110.285 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.1 t -86.32 -43.18 13.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -115.81 -34.6 4.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -73.21 -16.04 61.43 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.213 -0.305 . . . . 25.0 111.307 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -50.34 -15.71 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.375 1.991 . . . . 25.0 116.375 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 122.996 0.518 . . . . 25.0 111.757 174.364 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.276 0.56 . . . . 25.0 109.559 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -40.17 74.95 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.159 0.504 . . . . 25.0 109.806 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -34.48 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.21 -27.76 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.548 -0.72 . . . . 25.0 110.395 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -77.12 -22.18 53.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.88 -52.04 61.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 ptp -61.06 -26.39 67.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.75 -33.48 76.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.319 0.58 . . . . 25.0 110.586 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.5 p -73.99 -37.94 64.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.306 0.574 . . . . 25.0 111.353 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.15 -37.52 87.65 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.24 -39.19 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -47.21 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.968 0.168 . . . . 25.0 111.264 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.4 -30.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -67.04 -59.57 3.36 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.211 1.005 . . . . 25.0 109.9 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.47 -17.56 64.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.273 -1.33 . . . . 25.0 110.658 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.64 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.237 -0.585 . . . . 25.0 109.53 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.57 -15.3 22.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' HD13 ' A' ' 28' ' ' LEU . 72.2 m -61.8 159.21 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -176.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.53 -7.71 56.17 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.077 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -63.82 -36.04 82.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.399 0.619 . . . . 25.0 109.952 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.43 -28.18 61.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 25.0 111.999 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.54 -30.83 4.14 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.0 149.0 32.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 171.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -93.24 -8.13 43.15 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -93.34 -1.08 56.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.623 1.201 . . . . 25.0 107.763 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -126.92 156.8 40.91 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 113.357 -1.747 . . . . 25.0 108.719 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' ' 19' ' ' SER . 9.2 tp -153.51 148.28 26.41 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -73.49 151.91 40.88 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.689 -0.404 . . . . 25.0 110.547 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -58.69 -43.44 90.01 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 122.386 -0.196 . . . . 25.0 110.949 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -56.41 -39.52 73.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.44 -39.92 85.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.309 0.576 . . . . 25.0 110.047 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.61 -39.05 92.53 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.278 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -63.62 -33.17 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.167 -0.213 . . . . 25.0 110.729 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -79.15 -46.84 17.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.48 0.178 . . . . 25.0 111.48 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.56 -30.04 68.73 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 121.816 -0.553 . . . . 25.0 110.606 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -45.62 89.27 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 121.774 -0.579 . . . . 25.0 110.159 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -78.12 -22.42 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.758 -0.588 . . . . 25.0 110.804 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -29.91 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.716 -0.22 . . . . 25.0 111.096 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -104.24 -45.24 4.75 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.389 1.626 . . . . 25.0 115.389 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -69.02 -57.66 5.14 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.796 -0.184 . . . . 25.0 111.058 -172.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m 42.29 26.3 0.06 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.78 -57.72 0.09 OUTLIER Glycine 0 C--N 1.334 0.461 0 CA-C-O 122.915 1.286 . . . . 25.0 112.597 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.6 m-85 -75.4 -12.12 60.19 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.591 1.33 . . . . 25.0 114.591 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.45 -24.9 67.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.196 175.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -91.84 -28.46 17.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 122.877 1.323 . . . . 25.0 108.235 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.84 -8.94 57.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.502 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.424 HE21 HD22 ' A' ' 81' ' ' LEU . 23.4 mt-30 -63.12 137.69 58.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -123.35 -27.08 4.16 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.12 -0.363 . . . . 25.0 110.908 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.69 92.82 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 25.0 110.131 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.66 -33.38 62.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.556 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.57 -38.34 80.65 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.66 -0.816 . . . . 25.0 110.679 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.15 40.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.471 0.653 . . . . 25.0 109.453 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.77 -32.27 57.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.843 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.79 -45.85 80.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.037 0.446 . . . . 25.0 110.229 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -70.92 -29.72 65.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.481 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.86 -43.27 24.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.32 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.5 mmt -65.98 -41.33 91.29 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.396 -0.815 . . . . 25.0 110.43 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -70.31 -20.96 62.98 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.081 -0.648 . . . . 25.0 111.538 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -46.49 38.95 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.029 -2.211 . . . . 25.0 105.029 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -26.73 68.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.546 -1.206 . . . . 25.0 111.261 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.3 -38.38 81.58 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.127 -0.358 . . . . 25.0 111.35 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -86.78 -29.37 22.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.838 0.828 . . . . 25.0 111.998 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -107.93 7.63 28.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.839 -1.073 . . . . 25.0 113.278 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.3 65.23 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.508 -0.315 . . . . 25.0 113.875 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.1 4.96 27.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.936 0.347 . . . . 25.0 111.936 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.74 -172.38 34.64 Favored Glycine 0 N--CA 1.434 -1.434 0 N-CA-C 107.445 -2.262 . . . . 25.0 107.445 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.5 150.5 50.14 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.921 -1.14 . . . . 25.0 113.691 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -145.54 178.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.699 -1.137 . . . . 25.0 109.586 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.75 -174.14 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.449 0.299 . . . . 25.0 110.305 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.49 -38.78 75.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -68.22 -39.18 82.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.106 0.479 . . . . 25.0 109.774 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -31.87 71.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 25.0 110.287 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -69.12 -46.21 68.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.112 -0.993 . . . . 25.0 110.77 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -61.78 -32.11 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 122.057 -0.402 . . . . 25.0 111.793 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.09 -27.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.461 -0.774 . . . . 25.0 110.38 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.58 -30.23 70.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.64 -34.76 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 109.525 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.71 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 110.123 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD22 HE21 ' A' ' 48' ' ' GLN . 36.5 mt -72.82 -36.36 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -47.74 73.07 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.868 -0.605 . . . . 25.0 111.321 -177.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.77 -30.77 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.937 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.09 68.21 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -89.69 -53.73 4.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.401 1.096 . . . . 25.0 112.218 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.62 -50.18 9.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.006 -1.452 . . . . 25.0 114.585 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -17.55 61.43 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 122.522 0.329 . . . . 25.0 111.872 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -40.84 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.369 2.729 . . . . 25.0 118.369 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--N 1.319 -0.755 0 O-C-N 121.377 -0.827 . . . . 25.0 112.323 177.625 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 CA--C 1.516 -0.362 0 CA-C-O 120.956 0.408 . . . . 25.0 109.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.71 -40.1 95.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.83 71.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 25.0 112.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.29 -32.8 29.37 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.547 -0.72 . . . . 25.0 111.024 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -69.23 -21.89 63.9 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.35 -52.18 62.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.177 -0.919 . . . . 25.0 112.616 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.2 ptp -62.85 -24.57 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.87 -32.35 73.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.242 0.544 . . . . 25.0 110.297 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 43.4 p -72.96 -37.25 67.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.851 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.25 -36.25 82.54 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.61 -39.68 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.01 72.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.012 0.195 . . . . 25.0 111.423 -177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.58 -29.58 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -58.15 4.89 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.816 0.817 . . . . 25.0 110.737 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -18.52 65.4 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.753 -1.112 . . . . 25.0 110.17 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.95 89.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.396 -0.522 . . . . 25.0 110.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.11 -12.29 18.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' B' ' 28' ' ' LEU . 74.6 m -65.21 156.47 31.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.576 0.703 . . . . 25.0 111.954 -177.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.01 -21.5 39.9 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -60.5 -30.0 69.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -109.67 41.71 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 124.885 2.279 . . . . 25.0 114.901 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.51 -31.04 7.1 Favored Glycine 0 C--N 1.289 -2.065 0 CA-C-N 112.534 -2.121 . . . . 25.0 115.656 167.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -136.44 155.0 50.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 173.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -85.28 -8.71 58.38 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -173.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.68 2.45 49.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.185 0.993 . . . . 25.0 108.774 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -127.1 155.93 42.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.193 -1.367 . . . . 25.0 109.849 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 19' ' ' SER . 12.1 tp -157.24 152.97 26.79 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.494 -0.482 . . . . 25.0 111.449 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.3 -40.52 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.495 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -54.87 -41.5 70.9 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.9 -37.86 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.421 0.629 . . . . 25.0 110.311 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.17 -37.71 88.29 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.953 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -64.31 -32.17 73.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.271 -0.268 . . . . 25.0 110.619 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.65 -46.47 19.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.77 -28.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.589 -0.694 . . . . 25.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.03 -44.53 92.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.782 -0.574 . . . . 25.0 109.587 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.66 -22.45 46.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.874 -0.73 . . . . 25.0 111.141 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -25.03 58.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.741 -0.384 . . . . 25.0 111.419 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.92 -45.02 3.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 44' ' ' PHE . 1.2 tt -73.61 -64.94 0.89 Allowed 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.437 -0.505 . . . . 25.0 112.301 -172.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.9 m 34.91 35.85 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.73 -58.04 0.09 OUTLIER Glycine 0 C--N 1.335 0.479 0 CA-C-O 122.407 1.004 . . . . 25.0 113.018 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.414 ' HB2' HD21 ' B' ' 41' ' ' LEU . 37.5 m-85 -70.77 -23.73 62.46 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -58.07 -27.46 63.66 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.878 -1.056 . . . . 25.0 111.351 176.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.29 -20.2 23.2 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 123.327 1.537 . . . . 25.0 108.737 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.34 -1.85 58.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.693 -1.594 . . . . 25.0 111.509 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.57 142.44 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -120.73 -29.74 4.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -77.33 92.78 3.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 25.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -34.49 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.354 . . . . 25.0 111.931 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.71 -38.52 76.97 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.263 -0.975 . . . . 25.0 110.08 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.24 -51.83 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.56 -34.81 72.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.045 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.02 -46.87 76.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.11 0.481 . . . . 25.0 110.419 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -73.45 -28.15 61.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.394 . . . . 25.0 111.949 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.71 -41.22 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.304 -0.258 . . . . 25.0 110.304 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.3 mmt -63.93 -42.35 97.39 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.304 -0.872 . . . . 25.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -73.05 -20.92 60.88 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 120.345 -0.542 . . . . 25.0 112.038 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.26 -47.93 46.43 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.308 -2.108 . . . . 25.0 105.308 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.53 -1.213 . . . . 25.0 111.067 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.02 -31.89 73.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.08 -30.4 19.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.755 0.788 . . . . 25.0 112.057 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -104.33 7.48 35.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.118 -0.946 . . . . 25.0 113.405 -171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.26 -32.53 72.25 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.29 3.77 34.02 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.09 -174.77 43.84 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 106.983 -2.447 . . . . 25.0 106.983 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -124.79 144.93 50.0 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 113.33 -1.435 . . . . 25.0 112.35 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.33 -179.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.911 . . . . 25.0 108.686 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -131.41 -174.17 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -56.93 -41.13 77.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.77 -41.77 97.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.73 -32.12 72.52 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.399 -0.521 . . . . 25.0 110.65 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.15 -42.14 84.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.629 0.728 . . . . 25.0 109.327 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 75' ' ' VAL . 22.6 t -58.44 -39.67 75.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.097 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.31 -35.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -37.63 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.897 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.85 -30.51 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 119.55 -0.86 . . . . 25.0 109.122 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.44 -20.76 61.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.66 72.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.46 -35.91 68.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -67.65 -44.42 77.93 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.952 -0.567 . . . . 25.0 112.03 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.78 -33.74 63.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.677 -0.809 . . . . 25.0 109.633 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.79 66.05 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 122.067 -0.396 . . . . 25.0 110.329 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.85 -40.17 15.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -109.38 -46.34 3.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -19.68 65.84 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 122.925 0.49 . . . . 25.0 112.311 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -47.23 -15.93 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 117.43 2.382 . . . . 25.0 117.43 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 . . . . . 0 C--N 1.321 -0.657 0 O-C-N 122.015 -0.428 . . . . 25.0 111.898 174.482 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.3 t . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 110.547 -0.168 . . . . 25.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -28.0 69.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 170.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -29.46 69.64 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.151 0.796 . . . . 25.0 113.151 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -81.63 -22.45 37.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.563 0.697 . . . . 25.0 112.342 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -21.91 58.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.852 0.835 . . . . 25.0 109.229 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.03 -57.63 8.14 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.2 63.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.2 -33.58 72.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.966 0.507 . . . . 25.0 111.933 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 50.8 p -74.67 -38.13 62.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 25.0 111.081 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -37.15 85.56 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG23 ' HD2' ' A' ' 16' ' ' HIS . 42.3 mt -61.38 -40.99 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.44 -46.71 73.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 -177.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -84.98 -29.64 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.4 -56.21 9.27 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.536 1.16 . . . . 25.0 111.298 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.404 ' HD2' HG23 ' A' ' 12' ' ' ILE . 5.4 m-70 -70.83 -17.14 62.76 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.034 -1.439 . . . . 25.0 111.02 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.87 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 176.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -107.44 -5.09 17.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 158.99 12.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.898 0.772 . . . . 25.0 112.581 -176.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.34 45.81 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.774 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -74.27 -29.34 61.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.329 -0.513 . . . . 25.0 111.953 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.92 35.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 176.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.7 -30.98 4.07 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-O 118.956 -0.913 . . . . 25.0 114.782 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -97.29 157.6 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.942 1.371 . . . . 25.0 112.134 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE2' ' CE2' ' A' ' 26' ' ' TYR . 29.3 mtmm -68.42 -26.18 65.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 126.267 1.827 . . . . 25.0 113.572 -173.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 30.2 m-85 -109.5 9.62 25.33 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 122.194 0.997 . . . . 25.0 110.582 -174.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -124.42 152.5 43.17 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.929 -1.487 . . . . 25.0 111.177 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 29' ' ' SER . 2.0 tp -146.46 169.49 18.8 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 62.0 p -97.99 157.03 16.35 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -58.24 -49.07 78.4 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.141 -0.223 . . . . 25.0 111.385 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -54.47 -36.72 64.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.544 1.312 . . . . 25.0 114.544 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.26 -39.03 89.18 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.642 -0.423 . . . . 25.0 111.016 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 HG21 ' A' ' 69' ' ' VAL . 73.3 mt -64.01 -39.84 95.01 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 111.496 -176.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -59.49 -38.06 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.78 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -46.5 13.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -175.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.06 -36.36 83.74 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.958 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 7.0 tt -65.01 -46.15 82.59 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.792 -0.567 . . . . 25.0 110.601 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -73.85 -24.55 59.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.455 -0.898 . . . . 25.0 109.854 -171.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -28.57 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.049 0.218 . . . . 25.0 110.844 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.79 -37.07 12.53 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.42 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.777 -172.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.6 m 44.99 29.52 0.48 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.319 1.6 . . . . 25.0 115.319 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.37 -56.05 0.08 OUTLIER Glycine 0 C--O 1.226 -0.361 0 CA-C-O 122.076 0.82 . . . . 25.0 113.44 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -21.32 64.69 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.36 -26.58 66.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.638 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.43 -27.52 18.25 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.814 1.292 . . . . 25.0 108.905 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.18 62.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.286 -1.324 . . . . 25.0 112.449 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -63.56 141.37 58.79 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 122.607 0.363 . . . . 25.0 111.508 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -126.87 -25.92 3.26 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -74.61 93.47 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 25.0 110.316 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.3 -34.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.626 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.68 -38.03 83.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.156 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.8 -52.35 21.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.776 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.73 -34.44 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.772 0.32 . . . . 25.0 110.911 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.78 -46.52 84.87 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -36.42 64.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -174.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.62 -42.16 62.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.83 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -66.72 -42.73 85.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.004 -1.079 . . . . 25.0 110.723 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -70.61 -26.4 63.48 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.906 -0.718 . . . . 25.0 111.819 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.65 -49.01 62.47 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -34.65 78.86 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.088 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.71 -37.77 85.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -81.41 -32.42 32.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.692 0.758 . . . . 25.0 110.094 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -104.43 10.18 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -171.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.45 -32.49 57.91 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 115.825 1.09 . . . . 25.0 115.825 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -81.08 3.57 22.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.25 0.525 . . . . 25.0 111.442 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.23 -163.54 36.07 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 108.375 -1.89 . . . . 25.0 108.375 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.4 pt-20 -133.95 160.7 36.89 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.914 -0.643 . . . . 25.0 112.623 -171.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG21 HD11 ' A' ' 33' ' ' LEU . 17.7 m -147.96 166.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.719 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.69 -174.13 2.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.78 -38.94 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 75' ' ' VAL . 19.0 tt0 -66.91 -38.29 85.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -37.04 86.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.257 0.551 . . . . 25.0 110.362 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -67.04 -43.07 83.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.099 -0.376 . . . . 25.0 110.586 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -62.51 -29.95 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.495 -179.129 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.61 -40.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.34 -35.16 79.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.041 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -75.46 -34.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.34 -0.944 . . . . 25.0 108.688 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.18 -20.8 63.1 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.911 -0.493 . . . . 25.0 111.624 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.93 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.2 -38.33 69.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -66.41 -47.11 74.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.726 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -67.53 -34.07 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.711 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.01 65.49 Favored 'General case' 0 C--O 1.204 -1.305 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.36 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.9 -54.44 5.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.3 -51.34 4.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.92 -168.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -71.66 -16.21 62.25 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.892 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -40.66 -23.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 118.314 2.709 . . . . 25.0 118.314 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.314 -0.965 0 C-N-CA 123.36 0.664 . . . . 25.0 112.383 177.516 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.231 0.089 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.31 -43.54 92.63 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.788 -0.57 . . . . 25.0 110.649 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.63 -26.98 67.34 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -28.92 31.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.894 -0.504 . . . . 25.0 111.899 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -72.32 -20.74 61.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.26 -54.62 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.39 69.3 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.91 70.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.042 0.448 . . . . 25.0 111.108 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.58 -39.68 62.1 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.896 -0.503 . . . . 25.0 110.765 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -36.87 84.26 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.45 -41.29 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.85 77.15 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.391 0.432 . . . . 25.0 111.305 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.26 -29.84 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.15 -58.7 4.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.402 1.096 . . . . 25.0 110.568 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -71.83 -15.7 62.14 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.992 -1.458 . . . . 25.0 111.841 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.4 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.384 -0.526 . . . . 25.0 109.851 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -121.1 9.06 10.44 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.49 1.293 . . . . 25.0 114.49 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.599 ' HA ' HD13 ' B' ' 28' ' ' LEU . 95.6 p -74.52 171.63 13.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.288 0.566 . . . . 25.0 111.596 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.38 67.93 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.719 -0.753 . . . . 25.0 112.593 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.43 -35.33 80.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.835 0.826 . . . . 25.0 110.637 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.37 -24.34 57.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.064 -1.426 . . . . 25.0 111.337 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.78 -28.26 4.71 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.097 -0.801 . . . . 25.0 111.097 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -119.82 154.15 34.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.603 0.716 . . . . 25.0 112.3 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.63 42.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -100.23 5.37 44.67 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 122.03 0.919 . . . . 25.0 109.299 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -126.83 155.63 42.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.854 -1.521 . . . . 25.0 108.15 -175.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -159.16 143.65 15.48 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.4 p -72.77 149.89 43.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -55.74 -41.8 74.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.614 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -59.42 -39.09 82.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HG2' HD11 ' B' ' 28' ' ' LEU . 18.9 tp10 -67.1 -38.01 84.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.323 0.582 . . . . 25.0 109.485 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.97 -39.88 95.13 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.663 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.23 -39.65 87.43 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.224 0.535 . . . . 25.0 110.255 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -45.82 36.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.736 -0.666 . . . . 25.0 112.752 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.93 -32.71 73.35 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.197 -0.601 . . . . 25.0 110.522 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.32 -43.28 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.894 -0.503 . . . . 25.0 110.344 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.58 -22.57 43.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.853 -0.739 . . . . 25.0 111.004 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -30.92 58.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.807 0.337 . . . . 25.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 5.9 mm-40 -98.98 -45.22 6.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -66.98 0.79 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.751 -0.658 . . . . 25.0 111.13 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.8 p 38.52 41.05 0.43 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.03 -48.85 0.05 OUTLIER Glycine 0 C--O 1.223 -0.566 0 CA-C-O 122.137 0.854 . . . . 25.0 112.6 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -17.95 63.36 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -176.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.94 -24.55 67.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.932 177.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -91.65 -18.85 23.37 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 123.14 1.448 . . . . 25.0 109.206 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.57 -9.6 57.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.041 -1.436 . . . . 25.0 112.431 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -71.81 128.3 35.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -115.89 -25.33 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.995 0.368 . . . . 25.0 111.995 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -79.07 93.23 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 25.0 110.044 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.24 -34.72 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.306 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.25 -37.48 85.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.229 0.538 . . . . 25.0 110.34 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.67 13.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.593 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.62 -32.55 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.813 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.91 -48.95 79.46 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -35.74 72.44 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.66 -174.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.58 -43.45 62.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.62 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.74 -40.88 92.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.284 -0.885 . . . . 25.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.04 -27.46 62.72 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.085 -0.646 . . . . 25.0 111.266 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -47.92 71.11 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 177.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -31.79 73.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.575 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.7 73.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.831 -0.543 . . . . 25.0 111.389 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.8 -32.28 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.537 0.684 . . . . 25.0 110.597 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.17 6.45 33.06 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.1 -32.57 67.33 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 114.32 0.488 . . . . 25.0 114.32 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.51 -0.87 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.93 -162.29 37.87 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 109.712 -1.355 . . . . 25.0 109.712 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.36 146.29 52.21 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -172.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.54 179.07 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.507 -0.769 . . . . 25.0 109.184 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -128.47 -174.08 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.162 -0.336 . . . . 25.0 110.232 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.52 -40.49 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -64.88 -39.09 93.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.26 -0.274 . . . . 25.0 110.26 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -31.08 67.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.297 -0.561 . . . . 25.0 110.733 176.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -66.84 -40.11 87.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -57.42 -37.42 57.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.038 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -71.14 -39.73 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -65.07 -35.66 81.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.908 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.35 -31.61 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.338 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.66 61.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.13 -0.356 . . . . 25.0 111.682 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -73.37 -36.69 66.13 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.078 -0.712 . . . . 25.0 109.078 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.2 m -67.11 -45.86 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.788 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.48 -32.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.162 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.46 -24.95 61.27 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 122.069 -0.395 . . . . 25.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.7 t -85.82 -51.52 6.35 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.05 -37.72 6.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -19.46 62.45 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.782 -0.574 . . . . 25.0 109.733 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -40.85 -23.65 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 117.167 2.284 . . . . 25.0 117.167 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 . . . . . 0 C--N 1.315 -0.903 0 C-N-CA 123.37 0.668 . . . . 25.0 112.651 177.068 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.0 -24.24 67.64 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.779 -0.576 . . . . 25.0 110.081 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -29.97 70.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.44 -26.84 34.99 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 118.217 0.462 . . . . 25.0 111.565 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.83 -21.25 60.98 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 123.395 1.569 . . . . 25.0 109.007 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.39 -56.9 14.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.225 -0.922 . . . . 25.0 112.375 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG2' ' H ' ' A' ' 8' ' ' MET . 12.0 ptp -58.44 -27.68 64.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.631 0.975 . . . . 25.0 113.631 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -32.69 74.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.015 0.436 . . . . 25.0 110.595 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 40.8 p -74.06 -38.25 64.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.186 0.517 . . . . 25.0 111.084 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.89 -38.1 89.83 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.28 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.18 75.09 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 111.414 0.153 . . . . 25.0 111.414 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -84.16 -31.98 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.099 0.476 . . . . 25.0 112.278 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -67.58 -57.44 6.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.961 1.362 . . . . 25.0 110.922 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.71 -14.16 61.5 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.85 -1.977 . . . . 25.0 110.945 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.63 -38.19 73.86 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.23 -5.71 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.299 0.852 . . . . 25.0 113.299 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -64.52 160.77 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -171.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.94 55.16 Favored Glycine 0 C--O 1.219 -0.797 0 CA-C-N 115.307 -0.861 . . . . 25.0 113.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -70.33 -30.42 67.38 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.498 -0.413 . . . . 25.0 111.858 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -21.64 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.98 4.08 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-O 118.974 -0.903 . . . . 25.0 114.694 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.35 155.71 18.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.757 1.279 . . . . 25.0 110.907 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -13.11 47.94 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' HD22 ' B' ' 87' ' ' ASN . 26.6 m-85 -105.48 9.52 33.52 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.221 1.01 . . . . 25.0 108.824 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -133.49 169.7 16.59 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 113.529 -1.669 . . . . 25.0 107.298 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mt -157.25 169.48 24.65 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 52.0 p -88.85 157.35 18.48 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' HD11 ' A' ' 61' ' ' LEU . 34.0 mttm -57.52 -49.61 75.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.832 0.348 . . . . 25.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -54.74 -35.57 63.88 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 115.034 1.494 . . . . 25.0 115.034 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.62 -38.18 90.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.052 0.453 . . . . 25.0 111.039 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.77 -38.74 92.24 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.833 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -63.34 -35.45 80.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.141 -0.223 . . . . 25.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -81.15 -41.37 22.53 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.432 -0.507 . . . . 25.0 111.808 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.64 -31.2 68.05 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.582 -0.699 . . . . 25.0 110.367 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -43.8 97.39 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.718 -0.614 . . . . 25.0 110.139 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -78.73 -22.43 46.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.357 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -28.25 29.5 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -99.08 -44.15 6.4 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.1 tt -81.0 -60.29 2.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.342 -174.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m 46.3 28.79 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.59 -55.12 0.07 OUTLIER Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.948 0.749 . . . . 25.0 113.687 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -71.24 -14.21 62.16 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 -175.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.64 -24.39 67.03 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.277 176.212 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.21 -23.32 18.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.981 1.372 . . . . 25.0 109.014 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 5.49 13.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.122 -1.399 . . . . 25.0 112.977 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.47 HE21 HD22 ' A' ' 81' ' ' LEU . 35.1 mt-30 -79.72 119.24 22.37 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.935 -0.478 . . . . 25.0 110.388 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -102.46 -24.28 13.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.029 -0.419 . . . . 25.0 111.138 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -84.54 83.29 8.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.05 -35.07 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.149 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.16 -31.92 73.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.257 0.551 . . . . 25.0 111.097 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -59.48 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.402 0.62 . . . . 25.0 109.982 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -64.29 -32.0 55.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.95 -46.55 87.21 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -24.41 63.54 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.476 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.29 -43.46 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.305 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.86 -38.03 87.72 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.975 -0.69 . . . . 25.0 109.447 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -25.86 62.11 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.405 -0.518 . . . . 25.0 111.635 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.55 -47.15 50.53 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -63.08 -33.72 76.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.118 -0.947 . . . . 25.0 110.204 -178.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.86 -37.78 82.28 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -89.15 -14.16 36.77 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.062 -0.399 . . . . 25.0 111.623 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -114.59 10.24 16.74 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.326 0.584 . . . . 25.0 112.081 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.07 -29.73 56.26 Favored Glycine 0 C--N 1.318 -0.432 0 N-CA-C 115.981 1.152 . . . . 25.0 115.981 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.94 4.12 20.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.432 0.616 . . . . 25.0 111.338 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -159.47 27.38 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 108.934 -1.666 . . . . 25.0 108.934 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.8 pt-20 -136.77 156.7 48.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.021 0.439 . . . . 25.0 112.159 -172.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.58 173.45 9.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 114.413 -1.267 . . . . 25.0 110.959 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -176.75 4.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 173.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.35 -41.67 85.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.82 -38.23 88.35 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.222 -0.924 . . . . 25.0 110.474 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -67.05 -42.2 85.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.683 0.754 . . . . 25.0 109.297 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.719 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -55.85 -37.98 49.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.581 -0.736 . . . . 25.0 112.349 176.472 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.67 -35.65 80.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.07 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.56 -35.25 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.207 -0.997 . . . . 25.0 108.564 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.19 -20.71 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.841 -0.537 . . . . 25.0 111.823 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.31 73.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.398 0.618 . . . . 25.0 109.417 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.47 HD22 HE21 ' A' ' 48' ' ' GLN . 36.1 mt -72.54 -35.97 68.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -42.15 76.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -68.97 -34.65 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 119.471 -0.892 . . . . 25.0 109.938 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.21 -28.99 66.86 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.5 t -82.73 -47.54 11.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.31 -41.1 4.73 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -168.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -19.49 63.6 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 123.174 0.59 . . . . 25.0 111.488 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -41.18 -21.26 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 118.07 2.618 . . . . 25.0 118.07 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--N 1.317 -0.839 0 O-C-N 121.741 -0.599 . . . . 25.0 112.49 176.182 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.268 0.556 . . . . 25.0 111.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.01 -39.71 94.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -28.14 67.87 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 25.0 112.08 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -82.17 -31.13 30.6 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.14 -0.35 . . . . 25.0 111.224 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -68.84 -22.1 64.24 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.96 -56.55 16.82 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.13 -24.92 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.45 -33.78 76.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 25.0 109.866 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 69.5 p -73.22 -39.64 65.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.991 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -37.87 89.02 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.07 -40.14 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -46.31 76.66 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.97 0.169 . . . . 25.0 111.229 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.78 -30.09 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.34 -57.83 6.63 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.606 1.193 . . . . 25.0 110.111 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -69.42 -20.28 63.79 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.461 -1.7 . . . . 25.0 110.995 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.45 91.15 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.996 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -101.78 -0.44 34.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.416 0.524 . . . . 25.0 112.416 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -73.26 159.84 32.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.659 1.355 . . . . 25.0 114.659 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -4.95 56.2 Favored Glycine 0 C--O 1.221 -0.707 0 CA-C-N 115.141 -0.936 . . . . 25.0 112.71 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -66.62 -24.13 66.27 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.59 -0.359 . . . . 25.0 110.276 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.02 -26.17 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.72 -0.673 . . . . 25.0 111.032 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.49 -30.78 4.16 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.577 -0.609 . . . . 25.0 111.577 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.99 153.09 32.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 173.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -93.07 -9.59 39.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -94.17 2.93 55.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.56 1.172 . . . . 25.0 109.297 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.81 158.39 42.61 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 113.207 -1.815 . . . . 25.0 108.367 -171.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -158.53 150.14 21.1 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 172.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.05 148.68 47.3 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -52.35 -43.29 64.56 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -56.77 -39.16 73.54 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -65.79 -38.08 88.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 25.0 110.198 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.55 -36.82 83.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.894 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -66.48 -33.23 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.254 -0.279 . . . . 25.0 110.681 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.97 -42.8 31.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.63 -30.79 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.804 -0.758 . . . . 25.0 109.594 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -43.88 95.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.727 -0.608 . . . . 25.0 110.232 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.7 -22.41 46.7 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.452 -0.78 . . . . 25.0 110.943 -175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -30.21 40.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 121.054 -0.258 . . . . 25.0 111.109 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.52 -45.1 6.22 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -65.86 0.96 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.286 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.36 35.4 2.74 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.617 1.34 . . . . 25.0 114.617 -176.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.44 -30.77 0.12 Allowed Glycine 0 C--O 1.217 -0.942 0 N-CA-C 115.856 1.102 . . . . 25.0 115.856 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -96.05 -23.74 16.66 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 121.589 -0.948 . . . . 25.0 112.102 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.445 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.72 -24.21 66.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.492 -176.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.69 -16.91 13.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.526 0.679 . . . . 25.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.98 6.68 12.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.523 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.11 126.85 30.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -100.28 -28.52 12.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.306 0.242 . . . . 25.0 111.153 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -72.66 96.86 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.359 0.599 . . . . 25.0 110.688 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.23 -33.54 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.926 . . . . 25.0 111.859 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.62 -40.76 76.4 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.473 -0.767 . . . . 25.0 109.812 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.0 70.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.578 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.01 -35.95 76.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.38 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.31 -34.22 70.4 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 119.606 -0.838 . . . . 25.0 112.901 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -83.59 -39.29 20.51 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.428 -0.17 . . . . 25.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.28 -36.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -174.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.15 -37.11 80.68 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 117.437 -1.705 . . . . 25.0 108.531 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -73.06 -25.77 61.03 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.965 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.5 -48.92 65.67 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -34.47 77.89 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.181 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -68.15 -35.47 78.13 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.871 -0.518 . . . . 25.0 112.34 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.18 -31.68 24.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.442 0.639 . . . . 25.0 110.248 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -104.03 9.59 36.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.942 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.36 -30.42 64.65 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-N 116.182 -0.463 . . . . 25.0 113.19 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.37 -0.11 35.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.9 -158.92 33.8 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 109.867 -1.293 . . . . 25.0 109.867 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.36 147.77 52.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.86 174.42 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.27 -174.1 2.97 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.995 -0.441 . . . . 25.0 110.379 -175.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -57.93 -42.11 84.18 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.93 -41.42 97.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.43 -27.73 65.52 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.981 -0.288 . . . . 25.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.61 -41.19 84.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 HG13 ' A' ' 75' ' ' VAL . 78.3 t -63.03 -34.91 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.911 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.82 -40.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.36 -36.44 82.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.231 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.19 -32.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.349 -0.94 . . . . 25.0 108.744 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.54 -20.68 60.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.47 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.75 -36.42 67.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -65.98 -47.85 73.2 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 111.929 0.344 . . . . 25.0 111.929 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.91 -34.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.19 -0.604 . . . . 25.0 109.628 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -30.26 61.01 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.749 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -84.48 -42.77 15.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.46 -52.42 2.77 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.406 HD22 ' HB3' ' A' ' 26' ' ' TYR . 35.7 m120 -67.82 -16.18 63.98 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 113.296 0.851 . . . . 25.0 113.296 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -46.69 -15.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 117.155 2.28 . . . . 25.0 117.155 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 123.658 0.783 . . . . 25.0 111.076 174.04 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.209 -1.032 0 N-CA-C 110.817 -0.068 . . . . 25.0 110.817 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.92 -25.6 68.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.162 0.506 . . . . 25.0 110.412 172.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.05 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 25.0 111.792 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.93 -31.13 31.48 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.623 -0.673 . . . . 25.0 111.625 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -22.29 65.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.517 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.37 -54.44 40.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.323 -0.853 . . . . 25.0 113.091 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ptp -60.78 -27.32 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -33.01 74.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.762 0.791 . . . . 25.0 110.733 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.3 p -73.69 -38.43 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.49 . . . . 25.0 111.189 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.03 -36.62 83.74 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.65 -38.45 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.68 74.84 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 111.584 0.216 . . . . 25.0 111.584 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.35 -31.6 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -66.65 -55.33 15.73 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.496 1.141 . . . . 25.0 110.821 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -73.38 -14.46 61.28 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.608 -1.633 . . . . 25.0 110.835 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.31 -39.25 78.38 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -94.64 -10.26 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -62.1 149.5 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -170.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.22 -3.57 51.28 Favored Glycine 0 C--O 1.222 -0.647 0 CA-C-N 114.89 -1.05 . . . . 25.0 113.166 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.48 -25.06 65.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.8 -28.15 28.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.08 174.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.78 4.39 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.642 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.0 154.17 22.04 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.927 0.864 . . . . 25.0 112.339 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.31 -23.02 61.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -173.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -114.49 15.88 17.77 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.997 0.427 . . . . 25.0 111.496 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -132.35 150.73 52.1 Favored 'General case' 0 CA--C 1.488 -1.433 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -173.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.8 mt -154.45 148.17 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 p -70.66 150.19 46.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -52.89 -42.42 65.3 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.19 -39.44 75.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -63.61 -38.79 92.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.406 0.622 . . . . 25.0 110.489 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -37.84 84.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.506 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.74 -32.36 73.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.65 -47.38 26.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.424 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.49 -30.72 67.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.714 -0.616 . . . . 25.0 111.383 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.53 -42.03 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.775 -0.578 . . . . 25.0 110.394 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -80.32 -22.58 41.37 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.735 -0.603 . . . . 25.0 110.078 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -33.39 49.74 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.297 0.373 . . . . 25.0 111.924 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -95.19 -45.12 7.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -60.16 2.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.687 -172.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.54 25.06 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.649 1.722 . . . . 25.0 115.649 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.2 -55.81 0.1 Allowed Glycine 0 C--O 1.228 -0.246 0 CA-C-O 121.688 0.604 . . . . 25.0 112.889 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -20.09 63.13 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -174.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 -26.05 67.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.001 -1.0 . . . . 25.0 109.808 176.072 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.53 -21.41 15.93 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.591 1.186 . . . . 25.0 109.251 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.46 -12.11 61.36 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.625 -1.17 . . . . 25.0 111.53 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.96 140.25 58.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.686 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -123.97 -23.24 4.66 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -73.32 95.06 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 25.0 110.467 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.28 -34.56 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.913 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.3 -40.95 81.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.838 -1.145 . . . . 25.0 109.942 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.65 65.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.271 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.48 -33.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.18 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.96 -38.68 66.66 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.362 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -38.21 64.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.72 -39.9 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.101 -0.5 . . . . 25.0 111.681 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.7 mmt -65.89 -40.21 91.35 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.823 -1.151 . . . . 25.0 109.201 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -70.82 -22.23 62.36 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.581 -0.447 . . . . 25.0 112.038 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -74.79 -49.5 20.6 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 105.949 -1.871 . . . . 25.0 105.949 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -34.74 77.08 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.055 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.74 -33.68 76.17 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.36 -31.71 21.36 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.924 0.868 . . . . 25.0 111.624 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -101.94 9.42 40.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.841 -1.072 . . . . 25.0 112.659 -171.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.2 -32.41 67.44 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -85.47 6.81 25.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.882 0.341 . . . . 25.0 111.879 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.29 -158.42 31.25 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.565 -1.814 . . . . 25.0 108.565 174.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.93 143.4 44.91 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.39 175.12 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.879 -0.601 . . . . 25.0 110.984 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.18 -174.1 3.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.228 -0.295 . . . . 25.0 110.498 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.31 -40.09 77.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.717 0.636 . . . . 25.0 112.717 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 30.2 tt0 -64.49 -40.7 96.17 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -33.36 72.99 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.449 175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.72 -43.88 87.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.441 -0.787 . . . . 25.0 110.536 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -63.77 -29.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 122.085 -0.385 . . . . 25.0 111.061 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.4 t -74.66 -36.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.23 -35.18 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.302 -0.249 . . . . 25.0 111.521 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.57 -33.85 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.359 -0.936 . . . . 25.0 108.879 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -20.8 62.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.076 -0.39 . . . . 25.0 111.49 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.45 74.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -38.21 69.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -43.45 80.33 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.285 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.538 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.5 m -71.93 -30.45 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.662 -1.215 . . . . 25.0 111.093 -176.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.06 60.78 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.75 -54.55 5.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -44.24 4.22 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -168.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -65.81 -20.96 66.44 Favored 'General case' 0 C--O 1.192 -1.958 0 CA-C-O 118.939 -0.553 . . . . 25.0 110.124 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -42.33 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.416 2.747 . . . . 25.0 118.416 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 75.0 m-85 . . . . . 0 CA--C 1.552 1.055 0 C-N-CA 124.146 0.978 . . . . 25.0 110.782 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 C--O 1.214 -0.801 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.3 -28.34 68.62 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.375 -0.828 . . . . 25.0 110.304 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -28.46 69.03 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.86 -29.01 32.69 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 119.722 -0.791 . . . . 25.0 112.103 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -22.13 66.89 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.24 -57.36 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.089 -0.959 . . . . 25.0 112.359 -175.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.84 -27.13 64.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.77 -32.6 73.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.459 0.647 . . . . 25.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -75.63 -38.92 58.56 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 122.066 -0.396 . . . . 25.0 110.947 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.21 -37.63 88.15 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.08 -40.0 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -43.4 76.14 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.221 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -86.46 -31.84 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.1 -57.53 8.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.301 1.048 . . . . 25.0 111.811 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -71.92 -16.02 62.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.135 -1.393 . . . . 25.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.45 69.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 25.0 110.314 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.49 5.35 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -65.15 155.83 33.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.892 0.853 . . . . 25.0 113.276 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.63 -4.15 59.56 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.461 -0.876 . . . . 25.0 113.764 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -64.37 -35.66 81.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.222 0.534 . . . . 25.0 110.049 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.83 -28.63 65.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.923 -1.035 . . . . 25.0 110.628 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -17.18 6.46 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.641 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -124.69 146.3 49.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.193 0.997 . . . . 25.0 111.967 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.533 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.09 -21.77 64.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 116.667 2.099 . . . . 25.0 116.667 -170.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 21.5 m-85 -114.38 21.45 14.61 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.646 0.736 . . . . 25.0 110.983 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -136.87 153.78 50.67 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 114.533 -1.212 . . . . 25.0 108.326 -172.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.6 mt -156.83 149.12 23.15 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 106.258 -1.756 . . . . 25.0 106.258 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 67.4 m -83.95 157.01 22.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.542 -0.911 . . . . 25.0 108.542 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -56.45 -39.98 74.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -56.2 -36.01 67.91 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.102 0.477 . . . . 25.0 111.938 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.35 -39.05 65.51 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 121.511 0.672 . . . . 25.0 110.621 -175.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -61.46 -37.58 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 25.0 110.751 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.72 -45.23 37.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.24 -28.47 66.37 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.4 96.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 25.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.65 -22.56 37.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.555 -0.716 . . . . 25.0 110.981 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -27.75 63.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.997 -0.371 . . . . 25.0 109.997 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -107.14 -44.81 4.28 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 116.775 2.139 . . . . 25.0 116.775 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.84 -63.38 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.065 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m 33.21 43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.272 1.582 . . . . 25.0 115.272 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.58 0.07 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.34 -0.457 . . . . 25.0 113.66 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -20.69 63.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.241 1.2 . . . . 25.0 114.241 -174.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.512 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.51 -23.73 67.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.412 176.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -98.86 -16.23 18.93 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.728 1.251 . . . . 25.0 109.053 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 2.6 28.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.36 -1.291 . . . . 25.0 110.926 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -79.88 121.94 26.04 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.158 0.504 . . . . 25.0 110.657 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -93.05 -30.06 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.243 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -74.51 97.23 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.377 0.608 . . . . 25.0 112.452 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.36 -34.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.194 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.04 -36.69 72.45 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.353 -0.939 . . . . 25.0 110.148 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.57 60.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.95 -35.65 75.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.481 -0.488 . . . . 25.0 110.986 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.25 -37.31 85.19 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 111.143 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -83.51 -33.18 25.58 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -81.43 -36.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 111.666 0.247 . . . . 25.0 111.666 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp -66.81 -38.23 86.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.789 -1.195 . . . . 25.0 109.542 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -73.51 -29.48 62.51 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.924 -0.71 . . . . 25.0 111.634 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.29 -48.87 71.63 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -30.85 71.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.939 0.399 . . . . 25.0 110.709 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.35 -34.42 74.57 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.582 -0.699 . . . . 25.0 112.29 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.1 -18.49 22.55 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.017 -0.427 . . . . 25.0 112.13 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -112.29 4.53 17.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.52 79.63 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 116.293 -0.412 . . . . 25.0 113.749 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.63 7.63 19.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.842 0.312 . . . . 25.0 111.842 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.53 -146.4 6.06 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 111.187 -0.765 . . . . 25.0 111.187 175.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.3 pt-20 -148.94 142.36 25.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -149.83 -178.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 122.6 0.36 . . . . 25.0 110.821 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -130.85 -174.21 3.3 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.783 -0.573 . . . . 25.0 111.86 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -56.62 -41.33 76.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.452 ' HB2' HG11 ' A' ' 83' ' ' VAL . 30.3 tt0 -64.28 -38.72 92.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 25.0 109.855 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.63 -31.16 69.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.784 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -67.58 -42.13 83.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.451 -0.781 . . . . 25.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.39 -41.54 81.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.161 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.67 -26.55 16.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 121.001 -1.062 . . . . 25.0 110.41 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.66 -29.41 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.131 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.8 -31.57 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.611 -1.236 . . . . 25.0 108.536 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -71.15 -20.64 62.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.01 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.69 -35.9 70.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -67.75 -44.85 76.54 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.4 m -68.06 -34.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.725 -0.79 . . . . 25.0 109.793 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.2 60.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.858 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.19 -48.31 10.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -111.43 -36.39 5.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -67.91 -20.91 65.14 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -40.9 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 117.652 2.464 . . . . 25.0 117.652 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 . . . . . 0 CA--C 1.56 1.351 0 O-C-N 121.281 -0.887 . . . . 25.0 111.444 174.766 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 CA--C 1.513 -0.475 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.32 -24.08 43.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.261 0.553 . . . . 25.0 110.315 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -30.48 71.52 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.859 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.47 -30.77 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -22.35 66.18 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 122.313 1.054 . . . . 25.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.72 -57.83 9.93 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.938 -1.028 . . . . 25.0 112.862 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 ptp -58.75 -26.13 63.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.13 -34.73 78.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.238 0.542 . . . . 25.0 110.682 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.9 p -74.07 -39.13 63.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.233 0.539 . . . . 25.0 111.26 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.65 -36.64 84.91 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -63.16 -39.91 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.31 75.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.973 0.17 . . . . 25.0 110.963 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 m -83.68 -31.31 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-O 121.252 0.548 . . . . 25.0 112.275 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -66.75 -56.21 11.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.332 1.063 . . . . 25.0 111.446 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -74.14 -14.0 60.9 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.027 -1.442 . . . . 25.0 111.351 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -108.3 -9.58 15.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.767 1.766 . . . . 25.0 115.767 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.466 ' HA ' HD13 ' A' ' 28' ' ' LEU . 95.5 p -64.87 160.78 19.7 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.047 1.294 . . . . 25.0 112.125 -176.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -10.04 68.55 Favored Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.666 -0.697 . . . . 25.0 112.508 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -60.53 -42.09 95.78 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -103.56 41.7 1.25 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 124.858 2.266 . . . . 25.0 115.665 -172.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.6 -30.35 6.16 Favored Glycine 0 C--N 1.288 -2.094 0 CA-C-N 112.48 -2.145 . . . . 25.0 116.083 167.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.66 155.64 42.28 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.978 0.889 . . . . 25.0 113.377 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -73.56 -24.52 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.08 4.67 19.59 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.114 0.483 . . . . 25.0 111.493 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -115.83 149.92 37.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 19' ' ' SER . 13.8 tp -154.72 144.65 21.71 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 105.245 -2.132 . . . . 25.0 105.245 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 p -78.43 152.03 32.38 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.081 0.467 . . . . 25.0 111.909 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -57.19 -40.99 78.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.549 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -53.91 -42.89 69.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 28' ' ' LEU . 21.3 tp10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.222 0.534 . . . . 25.0 110.173 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.89 -38.5 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.848 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -63.9 -32.7 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.419 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -45.65 14.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.85 -31.69 72.78 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.235 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.22 94.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 110.098 -0.334 . . . . 25.0 110.098 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.26 -24.03 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.662 -0.815 . . . . 25.0 111.155 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -30.82 66.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.483 -0.192 . . . . 25.0 110.483 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.89 -45.08 7.1 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 -64.99 1.02 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -172.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m 44.61 32.63 0.79 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.701 1.371 . . . . 25.0 114.701 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.75 -52.99 0.07 OUTLIER Glycine 0 C--N 1.332 0.345 0 CA-C-O 121.896 0.72 . . . . 25.0 113.332 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -14.66 61.4 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -174.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.44 -25.12 67.87 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.328 175.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -93.55 -27.34 16.69 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.715 1.245 . . . . 25.0 108.636 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.28 -10.64 60.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.182 -1.372 . . . . 25.0 113.536 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -64.44 138.73 58.57 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.252 -0.28 . . . . 25.0 110.799 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -123.44 -25.94 4.32 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.219 -0.3 . . . . 25.0 111.689 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -81.48 87.01 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.97 -35.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.453 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.13 -31.31 72.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.28 0.562 . . . . 25.0 110.962 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -57.86 3.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.302 0.572 . . . . 25.0 109.809 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.38 -31.98 55.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.8 -45.3 86.86 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.299 -0.56 . . . . 25.0 109.68 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.57 70.73 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.316 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.8 t -79.17 -44.88 24.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.287 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.88 -36.6 82.67 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.451 -0.781 . . . . 25.0 110.405 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -21.46 59.75 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.484 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.94 -45.63 34.07 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 105.241 -2.133 . . . . 25.0 105.241 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.548 -1.205 . . . . 25.0 110.398 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.95 -36.41 84.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -83.0 -33.27 26.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.138 0.97 . . . . 25.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.69 6.9 44.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.464 -1.244 . . . . 25.0 113.313 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.69 -30.48 74.96 Favored Glycine 0 CA--C 1.504 -0.617 0 CA-C-N 115.879 -0.601 . . . . 25.0 113.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.46 0.51 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.49 -166.63 39.17 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -132.25 144.24 50.48 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.853 -1.174 . . . . 25.0 113.364 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 m -148.58 -179.07 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 25.0 108.821 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -129.06 -174.17 3.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -55.85 -38.32 69.92 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.35 -36.9 85.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.31 -39.73 89.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.358 174.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.73 -44.02 91.5 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.238 -0.914 . . . . 25.0 110.292 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -32.3 55.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 O-C-N 122.228 -0.295 . . . . 25.0 111.72 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.1 -26.33 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.338 -0.851 . . . . 25.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -29.57 69.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -82.64 -33.52 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 118.71 -1.196 . . . . 25.0 109.164 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -20.66 63.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.829 -0.544 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.422 0.629 . . . . 25.0 109.502 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 mt -75.32 -36.06 61.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -46.45 77.08 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.904 0.383 . . . . 25.0 111.788 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.61 -32.78 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 119.77 -0.772 . . . . 25.0 111.113 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 -29.56 57.55 Favored 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 20.9 t -81.59 -54.92 5.01 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.13 -45.46 5.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.978 0.894 . . . . 25.0 113.24 -168.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -72.0 -20.62 61.69 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -40.27 -16.4 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.745 2.498 . . . . 25.0 117.745 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 123.84 0.856 . . . . 25.0 111.646 173.407 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.23 0.068 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.04 -39.72 87.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.476 0.655 . . . . 25.0 109.797 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.71 -31.1 72.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.96 -25.53 37.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.491 -0.755 . . . . 25.0 111.647 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.7 m -69.44 -22.17 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.491 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.01 -54.9 32.77 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ptp -59.74 -26.01 65.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.05 -33.88 75.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.6 0.715 . . . . 25.0 110.449 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.0 p -74.34 -39.54 62.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.893 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -35.92 82.69 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.87 -39.61 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -44.79 78.03 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.347 -176.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -85.02 -32.43 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.7 -57.99 6.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.742 1.258 . . . . 25.0 111.311 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.79 -14.98 62.14 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.445 -1.707 . . . . 25.0 110.543 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.49 74.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -102.93 -3.57 25.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -65.86 159.88 24.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -171.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.14 10.62 41.76 Favored Glycine 0 C--O 1.22 -0.723 0 CA-C-N 114.953 -1.021 . . . . 25.0 112.639 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -80.73 -28.29 36.6 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.717 -0.284 . . . . 25.0 110.903 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -26.7 55.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 171.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.28 -29.56 4.52 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.17 -1.35 . . . . 25.0 115.14 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -103.0 155.21 18.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 119.781 1.79 . . . . 25.0 113.116 175.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -23.09 64.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -172.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -111.62 15.93 20.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 25.0 111.295 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.17 151.41 50.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.555 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 28' ' ' LEU . 5.0 mt -154.12 164.29 38.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 99.0 p -86.01 158.48 19.84 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -62.06 -41.56 98.27 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.661 0.267 . . . . 25.0 111.44 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.1 -36.35 72.76 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 121.113 0.482 . . . . 25.0 111.391 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -38.95 85.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.328 0.585 . . . . 25.0 110.795 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -37.21 83.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.263 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.65 -40.29 91.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.358 . . . . 25.0 110.861 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.57 -38.01 35.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.11 -29.57 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.302 -0.874 . . . . 25.0 110.118 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.88 -43.63 95.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.904 -0.498 . . . . 25.0 110.328 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.98 -22.62 42.34 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.997 -0.681 . . . . 25.0 111.18 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -27.99 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.528 0.204 . . . . 25.0 111.217 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.99 -44.89 5.35 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.68 0.993 . . . . 25.0 113.68 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.38 -61.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.877 -174.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.75 29.79 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.41 -52.4 0.08 OUTLIER Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.553 0.529 . . . . 25.0 113.325 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.2 m-85 -71.41 -16.48 62.4 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 -175.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.97 -25.1 67.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.184 -0.916 . . . . 25.0 109.654 175.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -99.83 -26.44 14.02 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.841 1.305 . . . . 25.0 109.029 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -71.12 -5.02 28.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.394 -1.276 . . . . 25.0 113.022 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HB3' HG11 ' B' ' 54' ' ' VAL . 53.0 mt-30 -64.41 141.58 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.348 0.259 . . . . 25.0 111.484 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -129.47 -24.31 2.8 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.423 ' H ' ' HB1' ' B' ' 84' ' ' ALA . 66.7 t0 -79.88 90.75 5.32 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 174.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.7 -36.16 75.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.299 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.61 -31.21 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.272 0.558 . . . . 25.0 111.141 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.72 -57.79 3.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.563 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' B' ' 48' ' ' GLN . 26.8 m -65.97 -30.41 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 N-CA-C 113.854 1.057 . . . . 25.0 113.854 -170.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.53 -44.34 91.16 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.36 73.16 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.328 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.53 -43.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.365 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.6 mtp -65.68 -41.01 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.686 -0.634 . . . . 25.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -26.12 64.47 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 119.942 -0.703 . . . . 25.0 111.547 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -74.53 -47.0 35.44 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -36.55 84.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.062 0.458 . . . . 25.0 110.313 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.33 -31.08 71.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.18 -11.79 25.62 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.3 10.51 11.99 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.77 68.1 Favored Glycine 0 C--O 1.227 -0.309 0 N-CA-C 114.637 0.615 . . . . 25.0 114.637 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -86.39 7.84 24.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.065 0.433 . . . . 25.0 111.985 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.56 -156.74 25.49 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.133 -1.987 . . . . 25.0 108.133 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -138.46 148.86 44.84 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.78 -179.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.614 -1.175 . . . . 25.0 109.741 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.33 -174.31 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.92 -42.2 79.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.28 -40.59 94.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.511 -0.551 . . . . 25.0 109.511 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -29.92 68.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 25.0 111.544 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -66.58 -41.29 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.669 -0.812 . . . . 25.0 109.183 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.18 -38.06 75.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.938 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.15 -37.32 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.44 -35.91 82.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.265 -0.425 . . . . 25.0 112.063 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.66 -31.19 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.527 -0.869 . . . . 25.0 109.156 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.71 -20.6 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.3 68.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.09 54.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.51 -46.71 75.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.16 -35.04 74.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.569 -177.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB1' ' H ' ' B' ' 50' ' ' ASP . . . -76.03 -32.78 59.52 Favored 'General case' 0 C--O 1.201 -1.467 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.419 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.5 -44.96 33.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -108.38 -51.18 2.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.66 -21.0 64.47 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -46.34 -15.86 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.174 2.657 . . . . 25.0 118.174 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 123.114 0.565 . . . . 25.0 111.282 173.098 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.217 -0.636 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -30.11 61.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -26.95 68.94 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.61 -25.19 49.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.162 0.506 . . . . 25.0 111.632 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -22.24 52.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.65 0.738 . . . . 25.0 109.578 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.42 -58.08 7.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.488 -0.778 . . . . 25.0 112.702 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -33.63 65.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.64 -34.75 74.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.863 0.363 . . . . 25.0 111.677 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 59.0 p -71.69 -38.76 70.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 25.0 110.888 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.44 -37.27 84.79 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.1 -38.04 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -47.03 76.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.973 0.171 . . . . 25.0 111.1 -178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.23 -31.86 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.288 0.566 . . . . 25.0 112.15 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -65.91 -59.03 4.25 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 122.688 1.232 . . . . 25.0 110.78 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -72.11 -15.12 61.99 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.425 -1.716 . . . . 25.0 111.117 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -40.37 85.35 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.038 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -94.89 -8.93 35.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -63.9 156.39 27.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.201 1.556 . . . . 25.0 115.201 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.83 -5.92 43.55 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.768 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -61.34 -40.77 95.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.302 0.572 . . . . 25.0 109.895 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -106.33 41.86 1.36 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 124.845 2.259 . . . . 25.0 115.548 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.09 -30.86 7.55 Favored Glycine 0 C--N 1.289 -2.076 0 CA-C-N 112.321 -2.218 . . . . 25.0 114.753 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -137.69 160.46 39.16 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -11.13 50.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -105.99 8.88 32.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -132.03 161.54 32.94 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.96 168.46 26.7 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 153.84 17.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -55.89 -39.52 71.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.182 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -56.51 -42.43 78.38 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.66 -39.25 93.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.04 -0.527 . . . . 25.0 111.196 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -61.33 -39.55 90.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 25.0 109.723 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -45.42 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -175.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.03 -32.63 74.22 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.04 0.448 . . . . 25.0 110.096 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.97 -49.55 69.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.821 -0.549 . . . . 25.0 109.863 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.14 -24.42 57.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.692 -0.803 . . . . 25.0 111.125 -172.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.08 63.65 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.124 0.265 . . . . 25.0 110.378 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.21 -43.09 8.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.422 0.629 . . . . 25.0 111.842 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -64.46 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m 43.04 36.21 0.89 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.7 -49.73 0.06 OUTLIER Glycine 0 C--N 1.334 0.455 0 CA-C-O 121.653 0.585 . . . . 25.0 113.162 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -18.97 63.05 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -176.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.113 -0.949 . . . . 25.0 109.498 177.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.17 -26.74 19.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.709 1.242 . . . . 25.0 108.786 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.74 -9.28 58.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.321 -1.308 . . . . 25.0 112.672 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -73.8 117.93 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -108.91 -17.4 13.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.123 -0.361 . . . . 25.0 111.769 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -83.58 93.98 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.209 0.528 . . . . 25.0 110.816 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -34.68 66.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.418 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.46 -32.83 71.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.86 -0.736 . . . . 25.0 111.294 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 -52.64 17.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 25.0 109.823 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.94 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.808 -0.357 . . . . 25.0 111.542 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.44 -36.71 85.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.248 0.547 . . . . 25.0 110.532 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -83.43 -32.25 26.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 25.0 111.635 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.6 -38.34 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 116.563 -0.29 . . . . 25.0 111.762 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 mmt -68.29 -35.8 78.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.986 -1.086 . . . . 25.0 109.851 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -72.34 -29.42 63.79 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.401 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.43 -45.05 77.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 106.585 -1.635 . . . . 25.0 106.585 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -29.23 70.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.458 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.3 -38.78 75.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.159 0.504 . . . . 25.0 111.369 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.61 -35.65 45.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 122.206 1.003 . . . . 25.0 110.642 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -103.93 5.15 35.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 25.0 114.115 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.17 -31.59 69.58 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 121.827 -0.225 . . . . 25.0 113.636 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -83.53 0.45 46.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 -178.98 41.91 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 107.302 -2.319 . . . . 25.0 107.302 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -119.1 143.88 46.92 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 112.951 -1.625 . . . . 25.0 112.491 -172.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.85 -178.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.875 -1.057 . . . . 25.0 109.774 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.31 -174.14 3.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.27 -0.269 . . . . 25.0 110.318 -174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -65.79 -37.58 86.68 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.72 -33.32 70.73 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.339 -0.544 . . . . 25.0 110.49 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.25 -43.84 85.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.034 -1.041 . . . . 25.0 109.947 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -64.66 -29.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.8 -28.23 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.159 -0.963 . . . . 25.0 109.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.56 -29.32 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.08 -33.57 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 118.884 -1.126 . . . . 25.0 109.461 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.03 -20.68 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.753 -0.592 . . . . 25.0 111.351 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.7 73.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.458 0.647 . . . . 25.0 109.754 174.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -36.07 70.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 m -67.23 -45.01 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.992 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.21 -31.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 119.883 -0.727 . . . . 25.0 110.52 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.45 64.68 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.0 t -84.65 -51.52 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.659 0.743 . . . . 25.0 112.9 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.75 -38.97 7.64 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.956 1.465 . . . . 25.0 114.956 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -18.9 62.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.897 -0.502 . . . . 25.0 109.878 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -40.72 -25.42 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.249 2.314 . . . . 25.0 117.249 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.318 -0.782 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 176.574 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 25.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.07 -40.72 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.039 0.447 . . . . 25.0 110.436 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -30.5 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.74 0.645 . . . . 25.0 112.74 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.0 -24.77 35.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 120.165 -0.614 . . . . 25.0 112.235 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -71.49 -20.35 62.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.74 -53.17 58.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -32.57 69.76 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.21 0.459 . . . . 25.0 111.706 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.74 -33.38 70.18 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.845 0.458 . . . . 25.0 111.691 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 52.2 p -72.72 -39.51 66.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.87 -0.519 . . . . 25.0 110.841 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.49 80.5 Favored 'General case' 0 C--O 1.207 -1.149 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.81 -39.42 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -45.99 80.15 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.273 0.358 . . . . 25.0 111.161 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.81 -30.98 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -66.24 -60.56 2.67 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.301 1.048 . . . . 25.0 110.612 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -70.77 -15.35 62.67 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.939 -1.482 . . . . 25.0 111.618 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.88 74.42 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.02 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -115.88 5.02 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -76.15 166.51 23.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.458 1.281 . . . . 25.0 114.458 -173.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.15 0.58 55.96 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.549 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.82 -41.78 95.48 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -98.94 41.91 1.12 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 124.936 2.303 . . . . 25.0 115.226 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.55 -30.82 6.55 Favored Glycine 0 C--N 1.289 -2.08 0 CA-C-N 112.557 -2.11 . . . . 25.0 115.139 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -137.44 156.29 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.619 0.709 . . . . 25.0 112.728 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -16.66 58.89 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -175.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.79 5.03 49.66 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -127.26 156.84 41.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.657 -1.238 . . . . 25.0 107.657 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 3.5 mt -157.22 157.77 34.95 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.187 -1.782 . . . . 25.0 106.187 175.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -81.0 153.39 27.46 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -58.09 -40.49 81.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.208 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.67 -39.14 90.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.58 -39.1 88.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.506 0.669 . . . . 25.0 109.524 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.29 -38.91 92.73 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.63 -0.713 . . . . 25.0 110.06 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.43 -36.24 83.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.681 0.276 . . . . 25.0 110.287 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -46.47 44.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -177.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.38 -30.6 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.237 -0.585 . . . . 25.0 110.481 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.71 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.935 -0.478 . . . . 25.0 110.206 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.25 -22.41 41.74 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.926 -0.71 . . . . 25.0 111.033 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.3 57.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 25.0 110.56 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.95 -45.12 6.4 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.882 1.068 . . . . 25.0 113.882 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -66.1 0.93 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.774 -173.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.1 t 40.38 41.48 1.05 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.19 -43.89 0.07 OUTLIER Glycine 0 C--O 1.223 -0.563 0 N-CA-C 112.088 -0.405 . . . . 25.0 112.088 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -70.82 -18.07 62.74 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.207 0.817 . . . . 25.0 113.207 -176.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.9 -21.9 66.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.404 175.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.34 -26.67 12.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.054 0.93 . . . . 25.0 109.544 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -73.39 -26.01 60.8 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.398 -177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -64.84 147.31 53.49 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.226 1.01 . . . . 25.0 111.139 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -128.94 -34.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.17 94.28 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.934 0.397 . . . . 25.0 110.695 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.93 -35.21 72.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.653 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.99 -31.53 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.316 0.579 . . . . 25.0 111.09 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.63 -56.72 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.002 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.49 -33.31 62.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -171.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.38 -46.07 84.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.444 0.64 . . . . 25.0 110.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.37 70.97 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.903 -175.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.508 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.7 mmt -65.28 -40.09 93.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.435 -0.79 . . . . 25.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -74.18 -19.18 60.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.106 -0.637 . . . . 25.0 111.701 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -76.28 -47.43 23.77 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 105.21 -2.145 . . . . 25.0 105.21 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -32.93 72.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.984 -1.007 . . . . 25.0 111.306 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.4 -39.93 89.32 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.448 -0.501 . . . . 25.0 112.228 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -84.22 -29.97 26.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.824 0.821 . . . . 25.0 111.417 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -101.87 7.24 41.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.144 -0.934 . . . . 25.0 112.911 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.64 65.9 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 119.883 -0.399 . . . . 25.0 114.084 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.09 4.56 33.56 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.485 0.314 . . . . 25.0 111.64 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.04 -170.68 39.94 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.663 -2.575 . . . . 25.0 106.663 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.63 149.29 52.55 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -144.68 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.432 -1.258 . . . . 25.0 108.397 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.97 -174.13 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -57.67 -41.63 81.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.739 0.304 . . . . 25.0 111.211 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -66.1 -41.67 90.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.434 HG12 HG13 ' A' ' 75' ' ' VAL . 67.6 t -60.49 -37.7 75.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.408 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.3 -38.22 73.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.43 -38.05 89.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.238 -0.437 . . . . 25.0 111.695 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -76.63 -28.59 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.614 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.53 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.995 -0.441 . . . . 25.0 112.096 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.45 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -78.15 -33.91 50.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.633 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.2 m -66.52 -46.39 76.36 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.51 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.839 -0.801 . . . . 25.0 108.839 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.24 73.45 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 116.33 -0.396 . . . . 25.0 111.241 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.85 -44.37 23.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -105.07 -49.74 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -171.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.83 -16.28 61.14 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -47.19 -15.59 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.376 2.361 . . . . 25.0 117.376 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 123.604 0.762 . . . . 25.0 111.351 173.647 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.85 -26.9 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -28.84 70.32 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.55 -22.86 40.4 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.804 0.729 . . . . 25.0 112.17 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -22.16 62.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.349 0.595 . . . . 25.0 110.573 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -58.75 6.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -32.96 63.6 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.49 -36.38 71.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.154 0.502 . . . . 25.0 111.638 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 42.7 p -73.36 -39.96 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.551 . . . . 25.0 111.43 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -36.19 82.85 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.61 -38.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.91 78.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.855 0.097 . . . . 25.0 111.255 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.25 -31.32 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.17 0.509 . . . . 25.0 112.26 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -71.01 -54.96 9.36 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 122.551 1.167 . . . . 25.0 111.439 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.31 -14.03 62.07 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 113.609 -1.632 . . . . 25.0 110.546 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.95 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -101.83 -13.79 17.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.5 p -63.93 154.06 35.06 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.359 -0.838 . . . . 25.0 109.807 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.2 -16.56 58.03 Favored Glycine 0 C--O 1.224 -0.522 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.37 -31.58 72.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -77.48 -25.59 50.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.593 0.711 . . . . 25.0 110.905 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.5 -26.06 5.26 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-O 119.524 -0.598 . . . . 25.0 114.063 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.42 153.42 33.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.015 0.908 . . . . 25.0 111.43 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -113.46 5.04 16.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.765 0.283 . . . . 25.0 111.765 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.22 148.47 43.63 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.559 0.695 . . . . 25.0 110.085 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -155.89 149.55 25.03 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 106.981 -1.489 . . . . 25.0 106.981 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 96.3 p -75.29 151.94 38.27 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.908 -177.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -59.25 -43.84 92.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.94 -0.304 . . . . 25.0 111.246 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -55.56 -39.22 70.36 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.81 -36.52 83.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 25.0 111.137 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.39 -37.11 85.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.205 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.62 -32.78 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.269 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.47 -47.39 23.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.601 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.22 -29.98 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.828 -0.545 . . . . 25.0 110.83 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -44.43 94.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.941 -0.474 . . . . 25.0 109.88 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -80.25 -22.42 41.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.85 -0.74 . . . . 25.0 111.361 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -27.77 60.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.569 0.211 . . . . 25.0 111.569 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.82 -44.97 5.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.955 0.724 . . . . 25.0 112.955 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -62.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -172.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.1 p 44.53 34.37 1.09 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.884 1.438 . . . . 25.0 114.884 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.07 -48.65 0.06 OUTLIER Glycine 0 C--O 1.224 -0.479 0 CA-C-O 121.779 0.655 . . . . 25.0 112.891 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -12.26 60.53 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 121.676 -0.896 . . . . 25.0 113.384 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.68 -24.42 67.0 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.232 -0.894 . . . . 25.0 108.985 175.508 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -86.91 -36.53 18.33 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.3 19.37 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.404 -1.725 . . . . 25.0 114.259 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.6 mt-30 -74.45 114.03 12.37 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.903 -0.498 . . . . 25.0 109.929 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -107.05 -19.32 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.268 -0.27 . . . . 25.0 111.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -84.3 83.25 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -34.66 68.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.579 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.15 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.261 0.553 . . . . 25.0 110.983 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -58.64 3.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 48' ' ' GLN . 21.9 m -66.71 -29.4 46.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -172.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.12 -41.93 99.44 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -32.08 64.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.963 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.65 -41.0 17.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 122.712 0.405 . . . . 25.0 111.261 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 92.4 mtp -64.5 -39.79 94.45 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.221 -0.924 . . . . 25.0 109.322 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -72.21 -29.24 63.78 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.219 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.76 -44.86 84.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 106.253 -1.758 . . . . 25.0 106.253 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -29.45 70.69 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.707 -1.133 . . . . 25.0 110.559 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -71.95 -34.87 69.36 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.359 -0.838 . . . . 25.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -79.72 -36.5 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.3 1.048 . . . . 25.0 110.389 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -101.72 3.55 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.168 -1.378 . . . . 25.0 113.336 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.4 -27.83 70.09 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.62 -0.718 . . . . 25.0 114.284 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.76 -1.71 39.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.459 0.153 . . . . 25.0 111.335 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.08 -171.38 32.49 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 108.696 -1.762 . . . . 25.0 108.696 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -130.79 150.03 52.15 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 113.361 -1.419 . . . . 25.0 114.48 -171.106 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.13 -179.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 113.965 -1.471 . . . . 25.0 111.041 -170.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.92 -174.22 3.25 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -56.94 -39.54 74.72 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.37 -35.91 81.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.81 -34.46 75.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.319 0.58 . . . . 25.0 110.68 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -69.83 -44.59 69.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.515 -0.741 . . . . 25.0 111.048 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -31.63 51.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.883 -0.51 . . . . 25.0 112.12 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -81.69 -27.4 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.111 -0.993 . . . . 25.0 110.208 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.78 -29.45 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.51 -33.14 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 118.876 -1.13 . . . . 25.0 109.494 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.83 63.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.808 -0.557 . . . . 25.0 111.441 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.32 72.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 25.0 109.29 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.93 -34.27 62.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.13 -45.99 75.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.69 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.12 -33.66 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.532 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.14 -27.31 61.59 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 122.169 -0.332 . . . . 25.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.53 -54.64 4.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.023 0.916 . . . . 25.0 112.675 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -96.6 -46.44 6.32 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 114.484 -1.234 . . . . 25.0 113.528 -168.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.318 3.4 m120 -69.21 -20.61 63.97 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.698 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -42.39 -17.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 CA--C 1.557 1.24 0 CA-C-O 121.39 0.614 . . . . 25.0 111.437 176.067 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.38 -42.32 75.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.485 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -33.61 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.68 -22.65 50.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.006 0.743 . . . . 25.0 113.006 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -72.01 -22.12 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.43 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -51.27 -55.7 16.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -30.91 65.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.38 -29.94 70.23 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 122.808 0.443 . . . . 25.0 111.759 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -80.48 -34.27 35.97 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.093 -0.643 . . . . 25.0 111.337 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.407 HG13 ' CE1' ' B' ' 71' ' ' PHE . 22.4 mt -61.62 -41.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -45.16 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.204 0.315 . . . . 25.0 111.294 -176.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.55 -30.86 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.24 -55.41 10.64 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-O 122.451 1.12 . . . . 25.0 110.47 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -72.3 -14.38 61.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.739 -1.573 . . . . 25.0 111.984 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.88 82.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -103.94 -12.2 16.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -62.72 149.91 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.269 -0.894 . . . . 25.0 110.743 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.29 -12.92 60.22 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.536 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -65.63 -29.25 69.8 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.556 -0.379 . . . . 25.0 110.368 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -78.4 -25.59 46.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.508 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -23.26 5.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-O 119.269 -0.739 . . . . 25.0 114.327 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.4 154.09 35.61 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.342 1.071 . . . . 25.0 112.23 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -24.23 64.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -108.11 8.24 28.02 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.858 0.361 . . . . 25.0 111.181 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -123.05 148.58 45.43 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 121.448 0.642 . . . . 25.0 111.91 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -156.78 144.32 19.07 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -71.87 152.64 42.45 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.327 -0.233 . . . . 25.0 111.35 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -55.61 -46.54 77.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -55.98 -40.9 73.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.15 -37.47 87.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.33 0.586 . . . . 25.0 111.405 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.59 -37.29 87.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.281 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.06 -31.64 71.43 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.89 -48.08 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.367 0.267 . . . . 25.0 111.334 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.2 -29.79 66.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.667 -0.645 . . . . 25.0 111.072 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.616 -0.677 . . . . 25.0 110.446 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -80.75 -23.05 39.66 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.628 -0.67 . . . . 25.0 110.539 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -32.71 51.9 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.609 -0.269 . . . . 25.0 111.64 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.34 -44.86 6.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -60.38 1.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.067 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 46.77 27.82 0.73 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.95 -55.11 0.09 OUTLIER Glycine 0 C--N 1.333 0.391 0 CA-C-O 121.442 0.468 . . . . 25.0 113.041 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -21.4 63.75 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 114.452 1.279 . . . . 25.0 114.452 -174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.519 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -60.55 -26.18 66.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.943 176.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -99.83 -20.9 15.96 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.558 1.171 . . . . 25.0 109.44 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -13.71 62.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.59 -1.187 . . . . 25.0 111.551 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.01 144.1 57.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.849 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -127.54 -25.18 3.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.198 0.599 . . . . 25.0 112.518 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -72.73 96.83 2.09 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.962 0.41 . . . . 25.0 110.241 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.22 -36.15 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.396 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.77 -37.57 76.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.196 -1.002 . . . . 25.0 109.913 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.52 62.23 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.49 -36.72 78.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.619 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.02 -46.9 79.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.921 0.391 . . . . 25.0 110.435 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.19 -32.49 59.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.12 -40.09 21.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.88 -0.146 . . . . 25.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.8 -41.89 91.35 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 118.926 -1.11 . . . . 25.0 109.578 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -70.72 -24.99 62.75 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.256 -0.577 . . . . 25.0 111.686 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.38 -50.18 48.56 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -32.52 73.93 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.165 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -67.83 -34.18 76.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -84.56 -32.89 23.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.91 0.862 . . . . 25.0 111.133 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -102.41 7.83 40.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.039 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.64 -32.87 61.92 Favored Glycine 0 C--N 1.321 -0.299 0 N-CA-C 115.494 0.958 . . . . 25.0 115.494 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -81.39 2.56 27.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.067 0.434 . . . . 25.0 111.541 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.67 -163.88 39.78 Favored Glycine 0 N--CA 1.438 -1.219 0 N-CA-C 109.267 -1.533 . . . . 25.0 109.267 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -131.69 146.18 52.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.047 -1.077 . . . . 25.0 113.462 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.03 178.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.556 0.742 . . . . 25.0 109.72 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.01 -175.02 3.64 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.851 -0.53 . . . . 25.0 110.569 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.407 ' CE1' HG13 ' B' ' 12' ' ' ILE . 71.0 t80 -58.2 -42.2 85.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.78 -41.98 98.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.86 -33.79 75.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.43 -0.908 . . . . 25.0 111.443 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.79 -41.67 99.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.145 -0.622 . . . . 25.0 109.51 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.27 -39.43 78.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.83 -35.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.61 -36.14 80.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.784 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -76.09 -29.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.54 -0.864 . . . . 25.0 108.795 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.98 -20.93 60.19 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.818 -0.551 . . . . 25.0 111.327 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -34.2 75.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -35.59 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -67.17 -48.11 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.162 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.73 -33.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.283 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.03 -25.93 59.1 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.624 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.18 -54.57 4.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.367 0.603 . . . . 25.0 112.52 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -104.71 -32.2 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -166.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.41 -20.99 35.98 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.978 -0.378 . . . . 25.0 109.978 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -40.79 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.681 2.845 . . . . 25.0 118.681 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 123.768 0.827 . . . . 25.0 111.211 176.225 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 108.431 -0.951 . . . . 25.0 108.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.72 -28.69 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 116.839 2.162 . . . . 25.0 116.839 -171.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.744 -0.598 . . . . 25.0 111.333 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.7 -25.12 35.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 119.31 -0.956 . . . . 25.0 111.983 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -22.4 66.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 25.0 110.188 174.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.83 -52.08 65.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptp -61.2 -25.4 67.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.47 -33.35 75.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.228 0.537 . . . . 25.0 110.543 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.3 p -73.17 -38.37 66.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.123 0.487 . . . . 25.0 110.937 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.52 -37.07 86.26 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.76 -38.5 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.64 -48.21 72.55 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.033 0.208 . . . . 25.0 110.871 -179.073 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 ' ND2' ' A' ' 13' ' ' ASN . 33.7 m -82.99 -30.93 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.192 0.52 . . . . 25.0 112.148 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.61 -57.71 7.5 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 122.427 1.108 . . . . 25.0 110.801 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.64 -17.03 61.7 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.87 -1.513 . . . . 25.0 110.823 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.5 78.08 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.887 -0.725 . . . . 25.0 109.114 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -103.99 -3.73 24.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.544 ' HA ' HD13 ' A' ' 28' ' ' LEU . 60.7 p -72.07 167.18 20.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.62 0.724 . . . . 25.0 112.155 -174.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.29 68.46 Favored Glycine 0 CA--C 1.51 -0.268 0 C-N-CA 120.758 -0.734 . . . . 25.0 111.75 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -62.32 -43.3 99.15 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -102.57 41.63 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.783 2.23 . . . . 25.0 115.729 -172.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -30.81 6.53 Favored Glycine 0 C--N 1.287 -2.183 0 CA-C-N 112.73 -2.032 . . . . 25.0 114.909 168.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.59 165.15 25.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.283 0.541 . . . . 25.0 110.508 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 64.8 pttt -93.01 -20.84 20.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 26.1 m-85 -90.54 -14.25 32.98 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.997 0.903 . . . . 25.0 108.62 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -111.93 155.68 23.31 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 113.8 -1.545 . . . . 25.0 107.689 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 19' ' ' SER . 15.9 tp -160.15 149.36 17.53 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -80.73 150.92 29.11 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.381 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 69' ' ' VAL . 32.8 mttm -57.02 -38.04 72.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.772 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -54.83 -41.72 71.05 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.65 -40.19 69.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.226 0.536 . . . . 25.0 110.218 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.59 -39.62 94.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.346 0.593 . . . . 25.0 110.77 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.02 -34.15 77.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.207 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -77.25 -44.41 29.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.74 -30.67 69.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.773 -0.58 . . . . 25.0 110.258 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.25 -43.59 97.57 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.97 -23.11 38.99 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.993 -0.683 . . . . 25.0 111.31 -175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -29.16 61.23 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.164 0.29 . . . . 25.0 111.726 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.19 -44.95 5.79 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -62.8 1.57 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.74 -173.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m 46.84 28.89 0.9 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.625 1.343 . . . . 25.0 114.625 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.77 -53.88 0.07 OUTLIER Glycine 0 C--N 1.332 0.309 0 CA-C-O 121.815 0.675 . . . . 25.0 113.305 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.63 -14.58 61.63 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.11 -24.87 67.85 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.139 -0.937 . . . . 25.0 109.308 175.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.5 -29.23 14.01 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.687 1.232 . . . . 25.0 108.998 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.39 52.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.234 . . . . 25.0 113.658 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -63.66 140.09 58.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.427 -0.212 . . . . 25.0 110.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.94 -25.03 3.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -79.96 89.31 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.37 -34.69 65.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.734 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.68 -36.8 76.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.332 -0.947 . . . . 25.0 110.702 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -53.93 42.2 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.89 -31.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.211 0.529 . . . . 25.0 110.102 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -76.23 -27.69 56.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.141 -0.482 . . . . 25.0 112.096 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.8 -42.15 17.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 122.375 0.27 . . . . 25.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.77 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.448 -0.782 . . . . 25.0 109.783 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -23.87 60.18 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 119.847 -0.741 . . . . 25.0 111.925 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -74.63 -44.68 49.34 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -34.79 75.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.065 -0.97 . . . . 25.0 110.429 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.97 -36.36 83.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.04 0.448 . . . . 25.0 111.938 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -84.1 -32.72 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.265 1.031 . . . . 25.0 111.662 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -103.87 4.99 35.48 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.208 -1.36 . . . . 25.0 113.823 -169.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.86 76.88 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 116.336 -0.393 . . . . 25.0 113.778 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.55 5.17 40.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.72 -163.6 39.52 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.96 146.3 40.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.449 -0.875 . . . . 25.0 112.004 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 30' ' ' LYS . 15.4 m -148.55 -178.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.244 -1.344 . . . . 25.0 108.795 -173.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.53 -174.17 3.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.296 0.498 . . . . 25.0 111.655 -174.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.83 -39.85 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.0 -36.76 85.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.75 -37.42 76.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 110.188 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -65.37 -43.0 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 25.0 111.531 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -62.97 -28.76 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 O-C-N 121.768 -0.582 . . . . 25.0 111.471 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.98 -36.88 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.1 -36.73 82.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.289 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -76.35 -34.14 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.105 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.56 62.81 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.72 71.82 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.59 -34.91 62.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -46.93 72.88 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -67.22 -33.99 66.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.141 -0.623 . . . . 25.0 110.185 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.36 66.67 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.896 -0.409 . . . . 25.0 109.896 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -79.17 -55.53 5.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -95.21 -44.57 7.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.37 -0.832 . . . . 25.0 113.006 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.48 -0.04 44.6 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.409 -171.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.45 -16.5 1.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.214 1.931 . . . . 25.0 116.214 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 C--N 1.317 -0.834 0 C-N-CA 123.581 0.752 . . . . 25.0 111.545 178.287 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 121.52 0.676 . . . . 25.0 110.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -35.72 81.76 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -31.29 71.87 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.417 0.895 . . . . 25.0 113.417 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.24 -26.93 32.79 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.556 -0.715 . . . . 25.0 110.796 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.5 m -69.86 -22.65 63.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.556 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.39 -54.3 45.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.428 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.0 ptp -61.8 -24.02 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.36 -31.23 72.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.595 0.712 . . . . 25.0 110.378 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 38.9 p -75.77 -39.73 56.56 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -35.75 81.94 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.53 -41.49 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -43.64 78.47 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.259 0.35 . . . . 25.0 111.129 -175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 m -86.79 -30.51 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -70.51 -55.39 9.04 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 122.414 1.102 . . . . 25.0 110.856 -175.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -71.27 -14.42 62.22 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.949 -1.478 . . . . 25.0 111.245 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.13 85.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -103.67 -13.75 16.38 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -61.55 147.71 44.57 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.193 -0.942 . . . . 25.0 110.309 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 -18.46 43.21 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.778 -0.929 . . . . 25.0 110.778 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.26 -30.59 71.64 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.668 0.271 . . . . 25.0 110.945 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.5 -25.95 57.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.702 0.763 . . . . 25.0 111.029 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.27 -25.99 5.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.167 -0.54 . . . . 25.0 112.963 -176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -117.33 152.72 34.33 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.531 0.682 . . . . 25.0 111.486 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -20.11 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -173.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -110.92 5.23 20.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 111.89 0.33 . . . . 25.0 111.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.5 149.53 43.77 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.601 0.715 . . . . 25.0 110.606 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -154.34 149.3 26.74 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 97.2 p -74.54 154.29 38.69 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.004 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -60.66 -46.28 90.94 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.292 -0.255 . . . . 25.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -55.41 -38.24 68.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.24 -39.7 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 25.0 110.937 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.67 -38.87 92.04 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.466 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -64.54 -32.65 74.38 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.231 -0.293 . . . . 25.0 110.751 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.26 -48.16 30.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 25.0 111.547 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.37 -28.13 63.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 25.0 110.917 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -48.34 78.23 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.733 -0.604 . . . . 25.0 110.222 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.57 -22.5 56.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.559 -0.713 . . . . 25.0 111.706 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -26.29 57.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.169 0.293 . . . . 25.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.46 -44.8 3.82 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.333 1.605 . . . . 25.0 115.333 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 44' ' ' PHE . 0.7 OUTLIER -62.98 -61.28 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -174.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m 41.98 32.04 0.27 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 117.132 2.271 . . . . 25.0 117.132 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.13 -57.7 0.06 OUTLIER Glycine 0 C--N 1.336 0.567 0 CA-C-O 122.639 1.133 . . . . 25.0 112.688 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 60.0 m-85 -75.51 -10.02 59.08 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 115.009 1.485 . . . . 25.0 115.009 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.548 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.75 -22.12 66.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.899 -1.501 . . . . 25.0 109.645 173.182 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.01 -36.87 8.44 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.46 -3.78 26.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 116.113 1.894 . . . . 25.0 116.113 -174.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.448 ' HG2' ' H ' ' B' ' 48' ' ' GLN . 3.2 pt20 -73.88 145.33 44.91 Favored 'General case' 0 N--CA 1.392 -3.331 0 C-N-CA 123.095 0.558 . . . . 25.0 110.856 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -125.62 -28.18 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.07 89.56 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.91 -34.25 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.201 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.24 -38.32 81.69 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.687 -0.805 . . . . 25.0 110.349 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -54.22 30.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.09 -36.39 76.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.021 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.1 -47.52 79.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.186 0.517 . . . . 25.0 110.764 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -70.84 -27.27 63.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.239 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -78.79 -44.81 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 43.2 mtm -61.99 -42.6 99.32 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 119.507 -0.877 . . . . 25.0 110.819 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -72.19 -28.97 63.55 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.969 -0.56 . . . . 25.0 111.646 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -67.89 -43.72 78.67 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -33.42 74.45 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.145 -0.934 . . . . 25.0 109.931 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -68.19 -34.27 75.98 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.581 -0.7 . . . . 25.0 112.51 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.86 -35.3 32.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.116 0.96 . . . . 25.0 110.506 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -102.13 7.6 40.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.374 -1.284 . . . . 25.0 113.057 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.25 -28.4 69.13 Favored Glycine 0 CA--C 1.503 -0.66 0 CA-C-N 115.952 -0.567 . . . . 25.0 114.512 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -0.65 34.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.28 -168.62 35.9 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 108.518 -1.833 . . . . 25.0 108.518 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -137.3 154.96 49.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.498 -1.351 . . . . 25.0 113.972 -171.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.48 -179.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 114.143 -1.39 . . . . 25.0 111.151 -171.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.98 -174.45 3.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.971 0.35 . . . . 25.0 110.894 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.96 -42.64 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.944 0.35 . . . . 25.0 111.944 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.28 -39.68 94.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.5 -31.99 70.58 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.987 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -64.65 -42.92 95.08 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.563 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -57.58 -42.74 81.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.932 -0.577 . . . . 25.0 112.482 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.85 -25.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 120.834 -1.166 . . . . 25.0 110.286 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.53 -28.53 67.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 25.0 109.918 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 m -84.02 -32.88 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 118.823 -1.151 . . . . 25.0 108.984 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.997 0.739 . . . . 25.0 112.997 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.96 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 25.0 109.7 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.29 -33.72 49.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.533 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -44.72 87.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.36 -33.9 62.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.794 -0.762 . . . . 25.0 109.48 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.71 -31.86 71.25 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 122.062 -0.399 . . . . 25.0 110.124 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.09 -49.68 13.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -104.22 -40.32 6.18 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -21.07 63.11 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 122.061 -0.399 . . . . 25.0 110.367 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.13 -22.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.897 2.184 . . . . 25.0 116.897 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--N 1.316 -0.877 0 O-C-N 121.635 -0.666 . . . . 25.0 112.28 176.514 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.7 t . . . . . 0 C--O 1.214 -0.79 0 CA-C-O 120.488 0.185 . . . . 25.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -26.42 68.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 170.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -31.31 70.94 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.15 -30.11 43.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -21.91 62.89 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.13 -54.63 32.93 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.48 -28.14 66.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.0 mm-40 -65.99 -30.18 70.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.266 0.555 . . . . 25.0 110.649 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 39.2 p -74.46 -37.79 63.14 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.661 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -37.05 85.64 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 9' ' ' GLU . 70.1 mt -63.12 -38.92 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -46.21 74.87 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.977 0.173 . . . . 25.0 111.25 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -84.84 -31.66 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 112.491 0.552 . . . . 25.0 112.491 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.62 -55.98 14.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.404 1.097 . . . . 25.0 110.557 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -74.22 -15.99 60.98 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.756 -1.565 . . . . 25.0 111.25 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.64 81.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.621 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -100.01 -0.92 38.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 112.169 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -69.11 157.37 37.0 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.99 -3.85 58.74 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 114.934 -1.03 . . . . 25.0 112.67 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -68.31 -24.78 64.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.349 -0.501 . . . . 25.0 109.687 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.56 -27.44 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.516 0.674 . . . . 25.0 109.909 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.57 -30.14 4.31 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.827 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.04 155.88 23.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 112.178 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -77.26 -27.63 53.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.397 1.079 . . . . 25.0 112.723 -172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -103.93 9.09 36.85 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.471 -1.241 . . . . 25.0 110.822 -171.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -135.36 157.63 46.42 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-N 114.221 -1.354 . . . . 25.0 107.872 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 28' ' ' LEU . 5.1 mt -157.15 153.1 27.18 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 173.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -71.28 153.02 42.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -56.27 -41.86 76.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.65 -37.87 82.95 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -63.79 -38.14 89.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.444 0.64 . . . . 25.0 109.942 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.53 -37.07 84.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.575 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.93 -35.59 81.04 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.91 -46.45 44.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.77 -28.69 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.788 -0.57 . . . . 25.0 111.469 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.18 -43.93 96.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.797 -0.564 . . . . 25.0 109.79 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.03 -22.34 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.816 -0.754 . . . . 25.0 111.331 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -25.58 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.628 -0.429 . . . . 25.0 111.556 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.07 -45.22 4.58 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -64.11 1.22 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m 43.89 30.16 0.37 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.28 -55.51 0.1 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.719 0.622 . . . . 25.0 113.241 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -20.92 62.77 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.63 -24.79 67.94 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.023 -0.99 . . . . 25.0 110.408 177.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -96.28 -21.96 17.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 122.74 1.257 . . . . 25.0 108.912 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.74 4.33 14.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.246 -1.343 . . . . 25.0 111.947 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -78.92 114.24 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 25.0 110.861 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.32 -26.81 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.436 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.53 94.76 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.53 0.681 . . . . 25.0 111.241 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.88 -33.69 63.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.133 -0.939 . . . . 25.0 111.383 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.8 -40.49 83.87 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.377 -0.929 . . . . 25.0 109.91 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.18 -50.15 67.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.314 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.9 -31.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.584 -0.447 . . . . 25.0 110.466 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.82 -25.32 58.94 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.889 -0.507 . . . . 25.0 111.291 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -83.54 -43.41 15.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.135 -0.353 . . . . 25.0 111.257 176.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.9 -37.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.323 0.861 . . . . 25.0 113.323 -172.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.4 mmm -64.26 -43.51 94.63 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.918 -1.113 . . . . 25.0 109.255 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 56' ' ' LYS . 18.8 pttp -70.38 -27.44 64.31 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.507 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -49.58 66.29 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.944 -1.873 . . . . 25.0 105.944 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -29.77 70.56 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.211 -0.904 . . . . 25.0 111.445 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.32 -34.2 74.29 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.604 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -88.94 -28.66 20.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.621 0.724 . . . . 25.0 112.552 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -108.13 6.87 27.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.968 -1.015 . . . . 25.0 113.091 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.0 -32.15 66.21 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.532 0.573 . . . . 25.0 114.532 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.33 6.74 28.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.86 -160.56 35.05 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.311 -1.916 . . . . 25.0 108.311 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.51 145.44 51.16 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -173.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -147.84 177.1 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.422 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.65 -174.21 3.24 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.211 -0.306 . . . . 25.0 110.793 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.16 -41.47 75.5 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -65.85 -39.22 90.57 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.16 -29.33 67.32 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.407 -0.808 . . . . 25.0 110.804 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -68.94 -41.55 77.92 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.434 -0.791 . . . . 25.0 108.996 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.754 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.2 -38.62 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.495 -0.775 . . . . 25.0 111.875 175.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.58 -40.16 79.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.79 -35.51 80.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.048 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.36 -34.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.403 -0.919 . . . . 25.0 108.982 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -20.58 61.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.017 -0.427 . . . . 25.0 111.621 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.24 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.381 0.61 . . . . 25.0 109.368 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.58 -37.27 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -43.51 75.42 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.977 -178.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.39 -33.21 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.487 -0.885 . . . . 25.0 110.18 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.96 -25.0 61.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 120.103 -0.639 . . . . 25.0 109.344 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.6 t -84.27 -48.56 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -109.95 -35.61 6.1 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.039 1.496 . . . . 25.0 115.039 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -20.8 61.75 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -42.59 -20.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.558 2.059 . . . . 25.0 116.558 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--N 1.314 -0.959 0 O-C-N 121.588 -0.695 . . . . 25.0 112.499 177.166 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 121.359 0.599 . . . . 25.0 110.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.05 -36.67 83.87 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.648 -0.657 . . . . 25.0 110.081 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -31.96 73.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -175.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.23 -30.51 54.58 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.491 -0.756 . . . . 25.0 111.669 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 m -71.27 -20.34 62.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.46 -56.27 18.34 Favored 'General case' 0 N--CA 1.442 -0.853 0 O-C-N 121.394 -0.816 . . . . 25.0 112.219 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -60.38 -26.36 66.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -63.84 -32.84 74.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.336 0.589 . . . . 25.0 110.632 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.545 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 51.2 p -74.2 -39.14 63.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.414 -0.514 . . . . 25.0 111.056 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -37.62 88.25 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.45 -40.87 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -45.62 72.66 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.975 0.172 . . . . 25.0 111.349 -177.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.3 -31.07 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.66 -57.5 7.95 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 122.475 1.131 . . . . 25.0 110.749 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -19.81 63.52 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.88 -1.509 . . . . 25.0 110.689 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.8 94.37 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.234 -0.587 . . . . 25.0 110.797 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -97.08 -0.99 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.44 -0.346 . . . . 25.0 111.604 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -65.42 152.79 43.05 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.33 -7.48 54.23 Favored Glycine 0 C--O 1.222 -0.62 0 CA-C-N 115.39 -0.823 . . . . 25.0 113.031 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -67.92 -19.51 65.0 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.564 -0.374 . . . . 25.0 111.118 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.31 -26.37 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.418 0.627 . . . . 25.0 110.731 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -28.91 4.62 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -121.03 157.39 30.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 171.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -93.26 -15.32 25.97 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -90.44 6.17 44.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.825 1.298 . . . . 25.0 108.617 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -134.51 159.37 41.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.025 -1.898 . . . . 25.0 107.388 -173.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.9 mt -158.81 149.47 19.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 171.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.0 p -70.59 151.2 45.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -56.06 -41.39 75.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.449 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -59.66 -38.84 82.55 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.52 -38.56 91.6 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.335 0.588 . . . . 25.0 109.787 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.47 -37.54 85.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.989 -0.445 . . . . 25.0 110.365 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.91 -45.34 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.853 -0.158 . . . . 25.0 111.007 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.44 -29.41 64.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.725 -0.61 . . . . 25.0 110.664 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.37 -42.04 98.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.615 -0.678 . . . . 25.0 110.112 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.53 -22.65 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.333 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -32.47 55.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.745 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 6.9 mm-40 -101.24 -45.27 5.41 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.447 1.647 . . . . 25.0 115.447 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 -66.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.169 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.85 34.59 0.28 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -173.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.9 -56.69 0.08 OUTLIER Glycine 0 C--O 1.222 -0.607 0 CA-C-O 121.507 0.504 . . . . 25.0 113.377 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -23.2 63.94 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -173.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.18 -23.64 66.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.841 -1.072 . . . . 25.0 110.661 178.224 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -106.73 5.51 28.8 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.349 1.071 . . . . 25.0 109.583 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.44 5.59 27.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.231 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.57 121.05 24.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.38 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -92.72 -30.1 15.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.537 . . . . 25.0 110.584 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -74.4 99.37 3.5 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.281 0.562 . . . . 25.0 112.074 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.94 -34.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.558 -0.746 . . . . 25.0 112.339 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.64 -37.79 76.9 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.22 -0.992 . . . . 25.0 109.703 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.35 61.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.56 -36.14 76.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.812 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.65 -45.29 79.49 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.575 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -77.18 -31.55 55.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -82.63 -39.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.731 -0.213 . . . . 25.0 111.329 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -66.32 -41.32 89.82 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 118.807 -1.157 . . . . 25.0 108.717 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.46 62.49 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.03 -52.05 12.03 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 105.954 -1.869 . . . . 25.0 105.954 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -34.74 78.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.21 -0.904 . . . . 25.0 111.376 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -88.18 -30.53 19.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.72 0.771 . . . . 25.0 112.203 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -103.03 8.21 38.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 25.0 112.712 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.15 64.97 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 114.597 0.599 . . . . 25.0 114.597 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -84.06 5.35 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.989 0.395 . . . . 25.0 111.858 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.94 -159.6 34.68 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.38 147.48 51.79 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 -173.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.11 175.78 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -126.66 -174.12 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.76 -42.41 83.96 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.41 -27.21 66.0 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.788 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -68.08 -42.14 80.82 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.809 -0.756 . . . . 25.0 109.191 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.754 HG12 HG13 ' A' ' 75' ' ' VAL . 67.4 t -61.63 -35.11 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.109 177.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.93 -39.54 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.537 -0.727 . . . . 25.0 109.338 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.45 -36.06 82.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.755 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.64 -31.88 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 119.325 -0.95 . . . . 25.0 108.872 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.12 -20.75 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.819 -0.551 . . . . 25.0 112.338 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.58 72.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.18 -35.66 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -66.72 -46.78 74.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.49 -35.02 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.055 -0.658 . . . . 25.0 109.652 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.3 -26.28 55.68 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.909 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 t -86.45 -44.13 12.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -116.91 -34.81 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -77.88 -15.89 58.68 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.245 -0.407 . . . . 25.0 111.113 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -46.16 -15.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 117.056 2.243 . . . . 25.0 117.056 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 . . . . . 0 C--N 1.32 -0.715 0 C-N-CA 123.777 0.831 . . . . 25.0 111.131 174.252 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.22 -0.493 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -28.87 70.28 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.305 174.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -27.3 69.19 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.43 -34.3 58.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 121.535 0.684 . . . . 25.0 112.016 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -22.48 62.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.567 0.699 . . . . 25.0 109.361 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.18 -59.06 4.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.979 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.1 -27.28 65.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.59 -32.89 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.418 0.627 . . . . 25.0 110.933 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.8 p -75.54 -36.95 60.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.01 0.433 . . . . 25.0 111.37 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -38.44 90.57 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.519 -1.289 . . . . 25.0 107.519 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.53 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.21 -47.44 72.11 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 119.754 -0.165 . . . . 25.0 111.285 -178.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG13 ' ND2' ' A' ' 13' ' ' ASN . 34.3 m -83.64 -31.24 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.383 0.611 . . . . 25.0 112.392 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.87 -56.73 11.65 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.641 1.21 . . . . 25.0 110.927 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.31 -18.04 61.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.874 -1.512 . . . . 25.0 111.117 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.07 91.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.071 -0.651 . . . . 25.0 109.671 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -95.11 -4.5 46.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -61.95 154.88 25.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.23 -2.76 43.68 Favored Glycine 0 C--O 1.222 -0.615 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.186 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -66.16 -33.65 76.26 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.318 0.58 . . . . 25.0 109.788 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -77.25 -29.47 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.722 -1.126 . . . . 25.0 110.991 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -30.83 4.1 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.149 -0.78 . . . . 25.0 111.149 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.43 166.34 11.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.242 0.544 . . . . 25.0 109.8 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -84.23 -35.25 23.58 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 123.54 0.736 . . . . 25.0 111.98 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.85 5.02 52.31 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.551 1.167 . . . . 25.0 109.357 -169.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -128.57 152.51 48.23 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 113.372 -1.74 . . . . 25.0 106.774 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.9 mt -153.64 159.23 42.02 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 105.666 -1.976 . . . . 25.0 105.666 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.3 p -82.35 151.28 26.76 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.085 -0.646 . . . . 25.0 109.414 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -57.65 -40.92 80.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.64 0.257 . . . . 25.0 110.857 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -57.84 -37.1 73.27 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -67.42 -41.34 84.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.475 0.655 . . . . 25.0 109.896 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.79 -38.27 90.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.774 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.21 -41.0 87.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.009 0.433 . . . . 25.0 111.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.79 -37.73 24.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.964 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.0 -31.42 70.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.781 -0.768 . . . . 25.0 109.484 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.71 -47.34 84.04 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.909 -0.494 . . . . 25.0 109.883 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -75.87 -22.41 56.21 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.56 -175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -28.78 31.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.06 -40.47 9.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.173 0.511 . . . . 25.0 112.212 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -86.88 -62.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.177 -176.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 49.28 23.09 0.76 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.698 1.74 . . . . 25.0 115.698 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.54 -57.2 0.11 Allowed Glycine 0 C--O 1.226 -0.373 0 CA-C-O 122.009 0.783 . . . . 25.0 112.829 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.401 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -71.23 -18.56 62.45 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -173.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.84 -25.79 68.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.455 176.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -99.02 -21.42 16.23 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.372 1.082 . . . . 25.0 109.143 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.83 -12.65 61.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.014 -0.994 . . . . 25.0 110.994 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.06 142.18 58.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 25.0 110.906 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -125.48 -25.92 3.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.751 0.42 . . . . 25.0 111.653 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -73.13 97.2 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.913 0.387 . . . . 25.0 111.295 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.89 -34.02 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 122.979 0.511 . . . . 25.0 111.667 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.06 -41.6 81.75 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.063 -1.055 . . . . 25.0 109.799 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.72 68.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.692 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.79 -33.44 61.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.287 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.15 -39.27 68.89 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -37.38 70.84 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.73 -42.11 20.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.025 -0.534 . . . . 25.0 111.11 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.46 -37.18 86.1 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.345 -0.942 . . . . 25.0 109.575 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -25.08 60.46 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 120.373 -0.531 . . . . 25.0 112.152 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -73.58 -48.16 34.91 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -31.57 72.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.329 -0.85 . . . . 25.0 110.958 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -35.68 81.89 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.444 -0.785 . . . . 25.0 112.101 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.34 -29.76 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.565 0.698 . . . . 25.0 112.102 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.63 3.06 26.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.672 0.989 . . . . 25.0 113.672 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -28.72 67.43 Favored Glycine 0 CA--C 1.505 -0.578 0 CA-C-N 116.217 -0.447 . . . . 25.0 113.402 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -1.76 44.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.28 34.25 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 109.156 -1.578 . . . . 25.0 109.156 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.47 145.71 45.06 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.144 -1.528 . . . . 25.0 112.926 -170.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.1 -178.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.726 -1.125 . . . . 25.0 110.003 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.75 -174.26 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.428 0.291 . . . . 25.0 110.881 -173.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.0 tt0 -66.27 -40.58 90.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.238 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -66.69 -42.9 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.716 -0.615 . . . . 25.0 110.308 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG13 HG12 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -63.97 -29.1 46.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 122.026 -0.421 . . . . 25.0 111.569 -179.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.04 -41.51 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.27 -34.91 78.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.994 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.84 -34.26 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 119.425 -0.91 . . . . 25.0 109.579 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.8 -20.73 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.799 -0.563 . . . . 25.0 111.832 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.44 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.357 0.599 . . . . 25.0 109.518 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.99 -37.72 72.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -44.46 78.19 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.87 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.23 -32.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.659 -0.817 . . . . 25.0 110.654 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.52 59.91 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 121.939 -0.476 . . . . 25.0 110.263 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -83.89 -53.39 5.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.04 0.756 . . . . 25.0 113.04 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -101.55 -43.75 5.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.277 1.214 . . . . 25.0 114.277 -170.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -20.96 64.02 Favored 'General case' 0 C--O 1.208 -1.079 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -41.68 -24.21 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 117.593 2.442 . . . . 25.0 117.593 175.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 66.3 m-85 . . . . . 0 C--N 1.313 -0.986 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.732 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.036 0.446 . . . . 25.0 110.138 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.431 -0.793 . . . . 25.0 108.957 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -27.89 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.029 -0.532 . . . . 25.0 112.42 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.04 -29.7 31.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.228 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.4 m -67.23 -22.22 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.588 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.83 -55.85 27.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.892 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.6 ptp -62.36 -25.25 67.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.38 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.61 0.719 . . . . 25.0 110.658 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 40.4 p -74.98 -38.46 61.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.888 -0.508 . . . . 25.0 111.204 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -36.92 84.2 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.12 -40.75 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -45.48 73.92 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.044 0.215 . . . . 25.0 111.381 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.58 -31.24 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.48 -56.11 10.87 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 122.275 1.036 . . . . 25.0 111.876 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -69.52 -18.95 63.72 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.133 -1.394 . . . . 25.0 110.41 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.28 86.06 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.349 -0.54 . . . . 25.0 110.134 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -103.71 2.5 33.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 97.5 p -64.64 155.9 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.539 0.685 . . . . 25.0 112.491 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.05 66.15 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.526 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -60.95 -29.73 69.81 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.788 -0.242 . . . . 25.0 110.726 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -112.2 41.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.898 2.285 . . . . 25.0 115.137 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.85 -30.72 6.75 Favored Glycine 0 C--N 1.289 -2.044 0 CA-C-N 112.558 -2.11 . . . . 25.0 116.317 167.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.51 153.86 48.39 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -18.87 62.38 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 115.292 1.59 . . . . 25.0 115.292 -174.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 18.8 m-85 -112.74 9.04 19.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.495 0.664 . . . . 25.0 110.28 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -123.13 152.89 40.68 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -157.54 148.1 21.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.859 -1.904 . . . . 25.0 105.859 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -81.15 153.51 27.21 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.339 0.59 . . . . 25.0 111.694 -176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.52 -39.34 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -55.98 -41.76 75.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.85 -39.83 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.364 0.602 . . . . 25.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.54 -38.04 88.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.138 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -62.19 -38.53 89.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.263 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.26 -39.21 49.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.718 -0.393 . . . . 25.0 112.055 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.29 -30.11 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.475 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.95 -43.01 97.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.825 -0.547 . . . . 25.0 110.452 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -78.41 -22.47 47.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.891 -0.506 . . . . 25.0 110.885 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -28.32 29.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -99.28 -45.27 5.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -61.19 1.72 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.253 -175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.25 30.71 2.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.27 -47.58 0.08 OUTLIER Glycine 0 C--O 1.217 -0.958 0 CA-C-O 122.435 1.019 . . . . 25.0 113.718 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.34 -18.43 61.18 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 120.628 -1.513 . . . . 25.0 113.333 -176.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.478 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.72 -24.19 67.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.072 176.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.14 -13.36 14.38 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 122.147 0.975 . . . . 25.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.89 -9.7 58.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.394 177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.69 142.44 58.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.91 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -122.9 -25.86 4.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.576 0.35 . . . . 25.0 111.059 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -72.3 106.29 4.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 25.0 111.502 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.11 -33.94 67.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.966 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.78 -37.17 76.27 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.577 -0.849 . . . . 25.0 109.948 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.45 57.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.61 -37.68 80.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.311 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.26 -43.13 78.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.763 -0.585 . . . . 25.0 112.149 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.68 -35.18 58.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.771 0.285 . . . . 25.0 111.771 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.13 -36.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 38.6 mmt -69.25 -36.14 76.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.443 -1.303 . . . . 25.0 109.334 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -71.2 -29.46 65.18 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.392 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -46.03 67.2 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 -175.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -28.77 70.21 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.589 -0.732 . . . . 25.0 111.132 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.86 -38.77 76.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.225 0.536 . . . . 25.0 111.586 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.43 -36.41 45.6 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.205 1.002 . . . . 25.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -105.06 5.43 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.998 -1.456 . . . . 25.0 113.942 -168.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.02 -34.1 71.36 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.219 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.64 4.27 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.16 -160.9 36.97 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 108.037 -2.025 . . . . 25.0 108.037 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 147.46 38.24 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.288 0.566 . . . . 25.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.65 -178.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.771 -1.104 . . . . 25.0 108.564 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.49 -174.03 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 25.0 110.705 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.32 -41.4 79.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.7 -39.83 94.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.28 -31.54 71.06 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.685 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -68.29 -40.76 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.722 0.773 . . . . 25.0 108.929 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.491 HG12 HG13 ' A' ' 75' ' ' VAL . 16.1 t -59.87 -37.47 72.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.376 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.52 -38.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.33 -36.56 84.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.04 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.3 -32.43 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 119.37 -0.932 . . . . 25.0 109.128 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.73 -20.68 60.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.84 74.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.82 -36.87 70.35 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -45.38 75.28 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.81 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.5 m -69.22 -32.34 53.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.88 -0.728 . . . . 25.0 110.527 -177.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.84 66.38 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.9 t -83.33 -51.54 7.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -107.83 -32.83 7.45 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.721 1.749 . . . . 25.0 115.721 -168.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.401 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -77.0 -16.0 59.46 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 121.683 -0.636 . . . . 25.0 109.424 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -40.72 -20.72 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 117.323 2.342 . . . . 25.0 117.323 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 . . . . . 0 C--N 1.318 -0.778 0 O-C-N 121.884 -0.51 . . . . 25.0 112.274 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -25.87 20.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.22 71.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.86 -22.52 36.91 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.601 -0.687 . . . . 25.0 112.103 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -22.06 62.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.43 0.633 . . . . 25.0 109.92 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.61 -57.06 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -32.2 65.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -177.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.98 -35.18 72.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 70.1 p -72.93 -38.64 66.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 25.0 110.854 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -38.45 89.28 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 176.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.6 -40.79 85.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -46.54 74.11 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.958 0.161 . . . . 25.0 111.395 -178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.05 -29.65 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.33 -57.41 6.68 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.444 1.116 . . . . 25.0 110.319 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.54 -16.43 62.88 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.865 -1.516 . . . . 25.0 111.634 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.32 89.75 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.448 -0.501 . . . . 25.0 109.809 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -99.8 -6.51 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 56.6 m -63.46 149.8 45.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -173.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.65 -10.31 57.49 Favored Glycine 0 N--CA 1.458 0.149 0 CA-C-N 114.667 -1.151 . . . . 25.0 112.71 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -61.63 -27.08 68.4 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -116.46 42.08 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 125.091 2.377 . . . . 25.0 114.381 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.09 -30.87 6.33 Favored Glycine 0 C--N 1.291 -1.918 0 CA-C-N 112.408 -2.178 . . . . 25.0 117.389 165.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -129.55 158.82 38.2 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -68.05 -29.47 68.44 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 125.498 1.519 . . . . 25.0 113.88 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -109.94 11.21 24.18 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.128 0.966 . . . . 25.0 110.576 -174.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -130.21 155.13 46.78 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 114.009 -1.451 . . . . 25.0 107.831 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.7 mt -153.79 169.26 23.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -97.25 155.36 16.89 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -56.94 -41.03 77.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 25.0 111.254 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -54.08 -40.1 66.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -69.47 -40.01 77.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.432 0.634 . . . . 25.0 110.576 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.6 -36.97 85.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 25.0 110.726 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.98 -37.9 84.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.661 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -80.31 -43.11 21.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.95 -29.85 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.463 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.36 -48.23 76.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -76.44 -22.63 54.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.647 -0.658 . . . . 25.0 111.659 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -28.42 54.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -100.23 -45.39 5.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.553 0.692 . . . . 25.0 112.107 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -60.32 2.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.406 -174.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.04 23.0 0.45 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.34 -57.22 0.11 Allowed Glycine 0 C--O 1.227 -0.301 0 CA-C-O 121.799 0.666 . . . . 25.0 112.736 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -18.96 62.89 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -173.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.27 -25.39 68.3 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.23 -0.895 . . . . 25.0 109.595 176.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -101.42 -16.61 16.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.893 1.33 . . . . 25.0 109.181 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.88 -12.67 61.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.558 -1.201 . . . . 25.0 110.486 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.98 124.98 23.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.408 -0.36 . . . . 25.0 111.227 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -113.3 -20.57 11.33 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.606 0.362 . . . . 25.0 111.108 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -76.0 94.9 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.396 0.617 . . . . 25.0 111.276 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' HA ' HG22 ' A' ' 54' ' ' VAL . 59.6 t -62.27 -34.72 65.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.007 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.48 -31.34 71.42 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.188 0.518 . . . . 25.0 110.889 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.66 -53.81 7.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.374 . . . . 25.0 110.021 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 51' ' ' VAL . 30.0 m -63.14 -33.85 63.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 C-N-CA 120.548 -0.461 . . . . 25.0 112.026 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.24 -39.14 92.3 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.739 -0.601 . . . . 25.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -35.38 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.4 -38.08 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.07 -36.02 77.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 118.605 -1.238 . . . . 25.0 109.762 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -70.95 -30.07 66.27 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.226 -0.59 . . . . 25.0 110.28 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.25 -45.7 69.1 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 107.018 -1.475 . . . . 25.0 107.018 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -30.68 71.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.836 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.5 -37.88 77.37 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.067 -0.396 . . . . 25.0 111.711 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.53 -13.49 32.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -117.78 8.55 12.74 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.18 65.03 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.541 -0.299 . . . . 25.0 113.836 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.78 2.64 41.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.09 -171.74 46.77 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 107.061 -2.416 . . . . 25.0 107.061 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.99 148.54 50.09 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -172.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.0 174.93 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.358 -1.292 . . . . 25.0 109.964 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.42 -174.09 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -57.42 -37.19 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -67.86 -38.71 83.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 25.0 110.134 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.54 -30.04 66.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.754 -0.591 . . . . 25.0 110.075 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.78 -44.68 73.14 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.199 -0.938 . . . . 25.0 110.565 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -63.4 -31.54 53.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.848 -0.532 . . . . 25.0 111.774 -177.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.87 -27.21 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 121.315 -0.866 . . . . 25.0 109.937 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.02 -28.81 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.024 -0.362 . . . . 25.0 110.024 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -83.62 -32.1 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 118.771 -1.171 . . . . 25.0 109.245 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -20.69 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.136 -0.352 . . . . 25.0 110.896 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.81 76.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.431 0.634 . . . . 25.0 109.74 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -70.76 -38.09 73.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -45.42 77.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 115.562 -0.745 . . . . 25.0 111.524 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.9 m -70.32 -31.11 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.44 -0.904 . . . . 25.0 111.071 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.43 60.81 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.273 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 t -91.32 -48.94 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -108.01 -45.76 3.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -169.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -67.95 -20.42 65.06 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -41.23 -21.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 117.807 2.521 . . . . 25.0 117.807 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 59.9 m-85 . . . . . 0 C--N 1.314 -0.972 0 CA-C-N 115.679 -0.692 . . . . 25.0 111.584 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.11 -28.65 42.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.53 -26.84 45.87 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.501 -0.749 . . . . 25.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -65.84 -22.16 66.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.71 -56.4 19.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -60.47 -25.79 66.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -63.16 -32.97 74.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.712 0.768 . . . . 25.0 110.866 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.6 p -75.28 -39.1 60.03 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.925 -0.485 . . . . 25.0 111.191 -177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.9 -37.09 83.72 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' B' ' 16' ' ' HIS . 31.2 mt -59.24 -43.04 88.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -44.1 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.516 0.51 . . . . 25.0 111.627 -176.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -86.82 -32.13 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.24 -57.79 6.05 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.712 1.244 . . . . 25.0 110.59 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.479 ' HD2' HG23 ' B' ' 12' ' ' ILE . 36.3 m-70 -72.27 -16.06 61.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.676 -1.602 . . . . 25.0 112.176 -177.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.82 85.21 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 25.0 109.933 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -103.92 -2.3 26.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.74 154.01 40.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 -8.33 34.65 Favored Glycine 0 C--O 1.223 -0.562 0 CA-C-N 115.049 -0.978 . . . . 25.0 112.754 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.81 -18.21 62.1 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -28.51 32.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.827 0.822 . . . . 25.0 108.878 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.62 -30.81 3.91 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.797 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.77 155.04 20.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.394 1.097 . . . . 25.0 111.136 170.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -12.49 59.46 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -172.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 19.6 m-85 -110.36 14.74 22.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.926 0.869 . . . . 25.0 109.291 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.48 158.32 44.66 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.683 -1.144 . . . . 25.0 108.568 -172.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -153.29 163.52 39.75 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.4 p -88.58 152.64 21.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.14 -41.99 80.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 25.0 111.474 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -58.06 -34.67 70.37 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -67.3 -38.48 85.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.561 0.696 . . . . 25.0 110.636 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.87 -36.47 84.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.395 -0.821 . . . . 25.0 110.097 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 ttpp -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.889 -0.141 . . . . 25.0 110.783 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.03 -44.33 31.21 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.389 -0.525 . . . . 25.0 112.226 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.71 -31.71 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.011 -0.676 . . . . 25.0 110.394 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.65 96.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.091 -0.38 . . . . 25.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -79.25 -22.48 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.732 . . . . 25.0 111.049 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -32.74 37.36 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.281 0.363 . . . . 25.0 111.452 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.79 -44.24 8.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.963 0.887 . . . . 25.0 113.367 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.56 -65.52 1.0 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.804 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.3 37.18 1.84 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -177.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.47 -45.3 0.06 OUTLIER Glycine 0 C--O 1.225 -0.426 0 N-CA-C 111.743 -0.543 . . . . 25.0 111.743 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -71.58 -15.97 62.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.921 -0.752 . . . . 25.0 112.982 -177.035 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -21.46 64.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.23 -0.895 . . . . 25.0 110.436 175.035 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.21 -31.05 10.3 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.667 1.222 . . . . 25.0 109.998 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -68.7 -28.17 66.61 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.999 -1.0 . . . . 25.0 113.353 -177.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.68 138.35 58.34 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.15 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -119.61 -31.5 4.55 Favored 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 123.328 0.651 . . . . 25.0 112.388 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -75.64 92.48 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.071 0.463 . . . . 25.0 110.12 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.88 -33.94 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.68 -38.54 80.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.619 -0.833 . . . . 25.0 110.637 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.56 44.19 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.93 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.755 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.71 -43.73 88.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.458 . . . . 25.0 110.429 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -71.79 -30.06 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.051 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.12 -41.9 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 110.171 -0.307 . . . . 25.0 110.171 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -64.72 -39.31 93.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.347 -0.846 . . . . 25.0 110.796 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -26.65 61.4 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 119.756 -0.778 . . . . 25.0 111.299 177.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -46.85 72.5 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -26.0 68.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.811 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.98 -39.79 69.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.53 0.681 . . . . 25.0 111.238 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -79.87 -34.93 38.79 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.326 1.06 . . . . 25.0 110.955 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -105.91 6.21 31.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.061 -1.427 . . . . 25.0 113.391 -169.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.23 -32.5 63.61 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 114.24 0.456 . . . . 25.0 114.24 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -82.51 1.03 39.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.94 -162.76 37.97 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 108.7 -1.76 . . . . 25.0 108.7 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.68 149.94 51.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.95 174.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.506 -1.225 . . . . 25.0 109.486 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -128.93 -173.96 3.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.848 -0.797 . . . . 25.0 108.848 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.65 -40.54 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.44 ' HB2' HG11 ' A' ' 83' ' ' VAL . 31.5 tt0 -61.98 -42.83 99.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.469 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.09 -30.4 70.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.749 -0.381 . . . . 25.0 110.746 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -67.31 -41.52 85.21 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.034 -0.666 . . . . 25.0 109.472 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.88 -37.48 76.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.663 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.7 -38.15 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.83 -37.38 87.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.987 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -75.84 -29.27 19.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 119.593 -0.843 . . . . 25.0 109.462 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.51 -20.68 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.049 -0.407 . . . . 25.0 111.882 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.22 70.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.57 -34.34 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -66.36 -45.84 78.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.818 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.5 -33.55 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.27 -0.572 . . . . 25.0 109.64 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.09 -29.59 68.57 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.313 -0.242 . . . . 25.0 110.399 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.22 -51.02 7.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -103.81 -34.71 8.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.959 1.466 . . . . 25.0 114.959 -169.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -16.84 60.74 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -40.84 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.978 2.214 . . . . 25.0 116.978 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 C--N 1.315 -0.904 0 N-CA-C 112.805 0.669 . . . . 25.0 112.805 176.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.011 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -100.88 149.46 23.85 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.78 -24.28 67.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.098 0.475 . . . . 25.0 110.363 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -28.93 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.543 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.06 -30.2 31.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.98 66.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.155 0.978 . . . . 25.0 108.887 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.1 -56.19 22.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.293 -177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.401 ' H ' ' HG2' ' A' ' 8' ' ' MET . 13.4 ptp -60.65 -26.77 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.32 -34.11 76.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.194 0.521 . . . . 25.0 110.647 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 38.0 p -72.74 -38.0 67.55 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.296 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -38.05 88.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.51 -40.14 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.58 -47.51 73.23 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 122.873 0.108 . . . . 25.0 111.09 -178.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' ND2' ' A' ' 13' ' ' ASN . 35.5 m -83.89 -31.6 8.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.186 0.517 . . . . 25.0 111.795 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.85 -59.54 3.44 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.347 1.07 . . . . 25.0 110.218 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -68.31 -18.43 64.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.872 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.65 76.95 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -98.37 -12.42 21.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.757 -0.656 . . . . 25.0 112.463 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -64.99 155.78 33.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 115.704 1.742 . . . . 25.0 115.704 -171.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.35 40.39 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 114.564 -1.198 . . . . 25.0 112.283 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -62.95 -30.89 71.92 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -106.73 41.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.523 2.106 . . . . 25.0 115.379 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.62 -30.84 4.77 Favored Glycine 0 C--N 1.292 -1.894 0 CA-C-N 112.98 -1.918 . . . . 25.0 116.194 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.34 158.79 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.297 0.57 . . . . 25.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -71.33 -20.39 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -104.05 8.56 36.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.104 0.478 . . . . 25.0 111.671 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -128.15 147.25 50.55 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.07 0.938 . . . . 25.0 110.501 -172.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.2 mt -155.06 157.18 37.16 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.22 157.08 20.71 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.167 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -55.95 -41.71 75.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.267 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -54.77 -38.64 67.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.919 1.081 . . . . 25.0 113.919 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -66.49 -40.3 89.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.354 0.597 . . . . 25.0 109.744 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.84 -38.22 85.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.519 . . . . 25.0 110.594 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.03 -33.66 76.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -77.15 -48.01 18.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.826 0.346 . . . . 25.0 110.438 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.13 -35.0 78.8 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.074 -0.651 . . . . 25.0 110.054 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.21 -44.77 96.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.543 -0.723 . . . . 25.0 110.846 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -76.97 -22.53 53.06 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.823 -0.751 . . . . 25.0 110.991 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -29.95 21.36 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.46 -36.73 13.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.178 -0.326 . . . . 25.0 110.773 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 -62.39 1.47 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m 45.41 34.82 1.67 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.77 -50.78 0.06 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-O 122.279 0.933 . . . . 25.0 113.074 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -13.01 61.37 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -26.01 68.38 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 176.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.29 -25.42 22.81 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.009 1.385 . . . . 25.0 109.434 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.28 -13.57 60.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.072 -1.422 . . . . 25.0 112.439 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.34 121.84 19.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -109.89 -20.37 12.78 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.238 -0.289 . . . . 25.0 111.704 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -81.5 94.71 6.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.182 0.515 . . . . 25.0 112.212 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.0 -36.28 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.494 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.08 -33.09 73.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 25.0 110.937 -176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -53.27 9.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.223 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.84 -35.42 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 C-N-CA 120.723 -0.391 . . . . 25.0 111.456 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.8 -44.77 96.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.172 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -72.67 -35.83 67.8 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 -175.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.7 t -80.57 -39.91 18.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.831 -0.622 . . . . 25.0 110.627 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmt -66.8 -36.45 82.42 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.042 -1.036 . . . . 25.0 110.86 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 7.4 pttt -77.55 -25.9 50.5 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.987 -0.685 . . . . 25.0 111.279 176.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.42 -48.47 72.68 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.393 -2.077 . . . . 25.0 105.393 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -29.43 70.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 25.0 112.024 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.99 -38.83 83.13 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.378 -0.826 . . . . 25.0 111.159 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.03 -26.82 23.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.111 0.481 . . . . 25.0 111.561 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -106.06 8.16 32.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.074 0.464 . . . . 25.0 112.246 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.43 -29.69 63.85 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.342 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.99 2.8 37.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.79 -176.72 38.27 Favored Glycine 0 N--CA 1.434 -1.5 0 N-CA-C 107.168 -2.373 . . . . 25.0 107.168 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -120.84 145.75 47.28 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 113.565 -1.317 . . . . 25.0 113.736 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.7 178.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.814 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -132.85 -174.09 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.574 0.349 . . . . 25.0 110.395 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -58.53 -40.85 84.1 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -63.67 -38.87 92.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.05 -29.68 66.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.462 . . . . 25.0 110.911 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.38 -42.19 83.78 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.292 -0.88 . . . . 25.0 109.135 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG13 ' B' ' 75' ' ' VAL . 55.3 t -59.34 -40.64 81.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.837 -0.619 . . . . 25.0 112.034 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.14 -26.48 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 120.879 -1.138 . . . . 25.0 110.291 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.02 -27.8 64.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.127 -0.488 . . . . 25.0 110.258 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -84.16 -29.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 118.654 -1.219 . . . . 25.0 108.748 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.65 -20.72 62.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.885 -0.509 . . . . 25.0 111.654 178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.47 70.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.332 0.587 . . . . 25.0 109.63 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.14 -37.25 66.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.93 77.13 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.926 -0.579 . . . . 25.0 111.952 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.48 -33.89 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.747 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.48 -23.42 65.48 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 121.599 -0.688 . . . . 25.0 110.365 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -92.48 -46.17 7.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -100.95 -34.09 9.92 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.9 -16.3 60.06 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.829 -0.544 . . . . 25.0 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -41.08 -17.29 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.824 2.157 . . . . 25.0 116.824 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.32 10.87 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.249 -0.907 . . . . 25.0 111.991 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -16.86 64.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.277 0.56 . . . . 25.0 110.12 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -132.28 175.71 9.04 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.217 -0.901 . . . . 25.0 109.389 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -61.18 123.37 17.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.906 0.86 . . . . 25.0 109.248 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 114.636 -1.165 . . . . 25.0 113.383 -172.778 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.367 0 N-CA-C 112.602 -0.199 . . . . 25.0 112.602 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -84.47 156.38 21.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.119 0.485 . . . . 25.0 110.141 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -74.17 -34.35 63.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.463 0.649 . . . . 25.0 109.851 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -29.85 70.39 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.492 0.923 . . . . 25.0 113.492 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.99 -27.81 49.14 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.444 -0.785 . . . . 25.0 111.464 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -65.77 -22.26 66.57 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.76 -56.1 22.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.492 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.28 -26.0 67.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.48 -34.08 76.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 25.0 110.687 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.23 -38.52 63.5 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.554 -0.459 . . . . 25.0 111.146 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.74 -38.54 91.34 Favored 'General case' 0 C--O 1.205 -1.252 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.59 -39.47 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.01 82.59 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.28 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -85.35 -28.47 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -68.31 -61.61 1.77 Allowed 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 122.048 0.928 . . . . 25.0 109.801 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -14.72 63.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.852 -1.522 . . . . 25.0 111.907 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.26 80.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.319 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -112.9 5.76 17.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -66.73 155.41 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.02 50.89 Favored Glycine 0 C--O 1.222 -0.638 0 CA-C-N 115.195 -0.911 . . . . 25.0 112.847 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -67.05 -19.44 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.742 0.306 . . . . 25.0 111.504 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -83.61 -27.27 29.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 25.0 110.825 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.76 -30.9 4.08 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 110.198 -1.161 . . . . 25.0 110.198 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -117.56 150.95 38.12 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -93.08 -16.09 25.36 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -83.34 7.03 17.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.379 1.085 . . . . 25.0 110.675 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -140.44 166.1 25.63 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.192 -1.822 . . . . 25.0 107.768 -172.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.1 mt -159.76 150.41 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 170.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -72.25 150.55 43.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -56.64 -42.24 78.52 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.597 0.221 . . . . 25.0 111.597 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -58.63 -37.0 74.96 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.31 -37.53 87.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.827 0.822 . . . . 25.0 110.255 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.12 -36.87 84.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.599 -0.728 . . . . 25.0 110.101 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -64.73 -32.58 74.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -79.01 -46.02 19.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.95 -30.58 67.99 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.486 -0.759 . . . . 25.0 111.416 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.75 -0.594 . . . . 25.0 110.459 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.11 -22.45 39.12 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.356 -174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.0 -33.93 61.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.65 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -97.67 -45.17 6.47 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.98 -63.53 1.35 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.584 -0.735 . . . . 25.0 111.603 -172.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p 42.92 34.96 0.67 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.44 -48.99 0.07 OUTLIER Glycine 0 C--O 1.221 -0.707 0 CA-C-O 121.398 0.443 . . . . 25.0 112.777 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -13.71 61.55 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.6 -22.04 66.13 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.311 -0.859 . . . . 25.0 109.4 175.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -99.81 -5.54 28.4 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.884 1.326 . . . . 25.0 109.106 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.25 -5.81 39.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.604 -1.18 . . . . 25.0 111.059 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -72.79 125.18 26.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -112.57 -24.88 9.43 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.395 -0.19 . . . . 25.0 110.605 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.56 90.07 6.75 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.78 -33.68 65.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.557 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.44 -39.01 85.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.447 -0.783 . . . . 25.0 110.648 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -56.11 20.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.51 -30.36 48.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 113.153 0.797 . . . . 25.0 113.153 -174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.03 -43.31 92.82 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.496 0.665 . . . . 25.0 109.646 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -73.39 -28.43 62.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.262 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -79.76 -40.33 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 122.504 0.322 . . . . 25.0 110.69 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.0 mtp -63.2 -44.55 95.03 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 121.314 -0.866 . . . . 25.0 109.922 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -68.96 -30.1 68.47 Favored 'General case' 0 C--O 1.205 -1.263 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.849 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.95 -48.09 75.3 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -31.38 72.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.343 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -70.26 -33.22 71.34 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.766 -0.584 . . . . 25.0 112.089 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.25 -33.36 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.89 0.852 . . . . 25.0 111.26 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -104.88 6.3 33.64 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.845 -1.071 . . . . 25.0 113.808 -170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.78 -32.54 65.94 Favored Glycine 0 C--O 1.227 -0.323 0 N-CA-C 114.564 0.585 . . . . 25.0 114.564 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -82.07 1.33 36.39 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.945 0.35 . . . . 25.0 111.945 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.4 -163.79 39.63 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 109.026 -1.63 . . . . 25.0 109.026 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -129.91 146.88 51.62 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.458 -0.871 . . . . 25.0 112.937 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -147.32 177.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.3 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -130.69 -174.17 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -57.02 -39.71 75.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.427 ' O ' HG12 ' B' ' 75' ' ' VAL . 30.1 tt0 -64.54 -42.11 95.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.41 -33.24 72.7 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.868 -0.733 . . . . 25.0 110.493 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.11 -42.49 93.92 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.66 -0.65 . . . . 25.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -65.81 -28.22 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 O-C-N 121.815 -0.553 . . . . 25.0 111.397 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.41 -37.06 44.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.98 -35.29 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.6 -0.273 . . . . 25.0 111.229 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.43 -32.06 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.173 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.09 -20.65 63.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.954 -0.466 . . . . 25.0 111.694 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.32 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.5 mt -75.32 -33.85 61.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -44.49 79.74 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.04 -33.53 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.395 -0.922 . . . . 25.0 109.84 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.53 64.64 Favored 'General case' 0 C--O 1.213 -0.863 0 O-C-N 121.891 -0.505 . . . . 25.0 110.846 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -89.29 -47.17 8.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.855 1.058 . . . . 25.0 113.855 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -103.35 -47.72 4.21 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -19.75 62.0 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 122.641 0.376 . . . . 25.0 110.879 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -41.03 -24.86 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 117.042 2.238 . . . . 25.0 117.042 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.13 10.93 1.67 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -15.7 58.25 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.26 0.552 . . . . 25.0 110.732 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -126.79 165.62 18.96 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.805 -1.924 . . . . 25.0 105.805 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.71 126.59 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.424 0.63 . . . . 25.0 109.995 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.245 0.864 0 N-CA-C 107.061 -1.459 . . . . 25.0 107.061 -179.648 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 N-CA-C 111.464 -0.655 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 p -71.84 166.33 22.28 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.44 -38.38 65.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.47 -28.97 70.33 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.603 1.335 . . . . 25.0 114.603 -174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.91 -25.97 56.52 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 121.836 -0.54 . . . . 25.0 111.307 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -75.3 -22.45 57.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.57 -55.94 24.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -59.15 -25.78 64.19 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -33.46 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.397 0.618 . . . . 25.0 110.762 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.7 p -74.91 -38.4 61.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.136 0.493 . . . . 25.0 111.02 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -37.15 85.99 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mt -61.95 -41.81 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -46.38 74.27 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.121 0.263 . . . . 25.0 111.217 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -84.37 -31.93 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -68.02 -57.37 6.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.19 0.995 . . . . 25.0 110.75 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -71.28 -14.73 62.32 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.236 -1.347 . . . . 25.0 111.415 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.57 81.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 175.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -99.06 -14.55 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.612 ' HA ' HD13 ' A' ' 28' ' ' LEU . 74.5 m -62.3 162.97 9.04 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.66 -10.53 53.1 Favored Glycine 0 C--O 1.224 -0.489 0 C-N-CA 121.086 -0.578 . . . . 25.0 112.234 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -64.32 -34.14 77.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.272 0.558 . . . . 25.0 111.054 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -73.27 -25.72 60.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.631 -1.168 . . . . 25.0 112.393 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.59 -28.05 4.81 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.678 -0.969 . . . . 25.0 110.678 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -119.58 157.18 28.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.651 -0.87 . . . . 25.0 108.651 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -8.44 49.66 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 115.405 1.631 . . . . 25.0 115.405 -173.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' B' ' 89' ' ' PHE . 29.8 m-85 -91.46 -9.5 44.32 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.388 1.089 . . . . 25.0 108.53 172.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -112.65 152.88 28.45 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.387 -1.733 . . . . 25.0 110.1 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 19' ' ' SER . 6.4 tp -147.61 169.28 19.96 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 76.2 p -95.36 157.33 15.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 118.723 0.692 . . . . 25.0 109.563 177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -60.75 -46.4 90.59 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.249 -0.282 . . . . 25.0 111.322 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -54.89 -39.95 69.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.185 1.18 . . . . 25.0 114.185 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 28' ' ' LEU . 8.7 tp10 -62.3 -36.95 83.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 25.0 111.126 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 69' ' ' VAL . 68.1 mt -63.32 -37.13 86.06 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.527 -0.469 . . . . 25.0 110.695 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -67.23 -29.9 69.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 25.0 110.123 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.84 -45.7 16.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.672 -0.24 . . . . 25.0 111.372 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -29.63 67.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.76 -0.587 . . . . 25.0 110.735 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.76 -43.47 96.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.834 -0.541 . . . . 25.0 109.967 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -79.66 -22.37 43.6 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.01 -0.676 . . . . 25.0 111.234 -176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -27.15 48.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.802 0.297 . . . . 25.0 111.802 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.66 -45.09 4.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -64.8 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.672 -0.411 . . . . 25.0 111.466 -173.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p 40.25 36.19 0.31 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.11 1.522 . . . . 25.0 115.11 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.34 -50.21 0.07 OUTLIER Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.979 0.766 . . . . 25.0 112.853 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -16.29 62.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.2 -25.28 68.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.318 -0.855 . . . . 25.0 109.177 176.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.99 -23.91 22.52 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 122.958 1.361 . . . . 25.0 108.655 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.07 -13.64 59.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.1 -1.409 . . . . 25.0 112.686 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.68 135.09 54.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.676 -0.238 . . . . 25.0 110.675 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -122.02 -27.17 4.63 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.16 91.81 3.75 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -33.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.767 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.37 -39.05 78.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.61 -0.836 . . . . 25.0 110.472 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.29 -51.79 61.76 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.666 0.746 . . . . 25.0 109.333 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.65 -34.4 67.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.621 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.01 -45.07 87.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.205 0.526 . . . . 25.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -72.78 -31.23 64.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.587 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.1 t -78.8 -42.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.02 0.128 . . . . 25.0 111.326 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.9 mmt -65.51 -39.19 91.56 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 121.47 -0.769 . . . . 25.0 111.909 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -67.72 -31.16 70.9 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 120.497 -0.481 . . . . 25.0 109.829 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.35 -40.98 42.08 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -32.4 73.35 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.343 -0.844 . . . . 25.0 109.963 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -40.29 88.36 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.754 -0.591 . . . . 25.0 112.437 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -32.59 36.93 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.037 0.922 . . . . 25.0 110.286 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 9.77 42.49 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.652 -1.158 . . . . 25.0 112.51 -173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.48 -31.07 65.98 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 114.421 0.528 . . . . 25.0 114.421 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -82.12 6.24 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.928 0.364 . . . . 25.0 111.283 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.18 -164.67 40.03 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.724 -2.15 . . . . 25.0 107.724 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 3.7 pt-20 -131.64 162.65 29.89 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.129 -0.535 . . . . 25.0 111.686 -170.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 33' ' ' LEU . 26.9 m -143.96 173.85 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.37 -1.286 . . . . 25.0 110.644 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -131.52 -174.1 3.31 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 171.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.0 -40.58 81.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.07 -38.21 87.73 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.176 -0.327 . . . . 25.0 110.737 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.17 -36.82 84.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.481 -0.762 . . . . 25.0 110.128 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -69.26 -41.06 77.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.158 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG13 HG13 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -60.34 -33.65 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.831 179.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.56 -40.16 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.64 -34.75 78.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 25.0 112.327 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -75.03 -33.69 29.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.324 -0.95 . . . . 25.0 108.592 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.34 -20.48 62.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.962 -0.461 . . . . 25.0 112.01 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.39 69.94 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.12 -37.3 61.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -46.21 76.6 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.798 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.43 -34.21 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.051 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.9 -27.91 61.28 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 121.041 -0.264 . . . . 25.0 110.359 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.7 -52.06 6.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -106.03 -36.39 6.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.791 1.404 . . . . 25.0 114.791 -167.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -81.89 -16.62 50.03 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.906 -0.496 . . . . 25.0 110.254 -176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 79.8 t80 -41.07 -20.43 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 118.194 2.665 . . . . 25.0 118.194 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -85.56 10.97 11.64 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 123.246 0.618 . . . . 25.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.538 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.73 -21.36 10.65 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 176.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.95 132.74 47.18 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -78.62 93.85 4.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.502 1.144 . . . . 25.0 110.726 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.311 -1.068 0 CA-C-N 113.806 -1.543 . . . . 25.0 112.621 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.56 0 N-CA-C 111.029 -0.828 . . . . 25.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -73.47 151.53 41.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.334 0.588 . . . . 25.0 110.553 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.93 -39.91 94.23 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.836 -0.54 . . . . 25.0 110.306 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.84 -29.34 69.79 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.18 -25.3 34.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.864 -0.735 . . . . 25.0 111.147 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.2 m -70.53 -21.93 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.26 -54.72 36.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 115.073 -0.967 . . . . 25.0 112.905 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -60.6 -24.9 65.83 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.9 76.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.239 0.542 . . . . 25.0 110.198 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 37.8 p -73.63 -38.35 65.05 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.927 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -36.73 83.27 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.55 -42.47 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -53.8 -46.12 70.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 123.279 0.362 . . . . 25.0 111.381 -177.406 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' ND2' ' B' ' 13' ' ' ASN . 34.9 m -85.55 -32.01 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.754 0.65 . . . . 25.0 112.754 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -66.71 -56.77 9.06 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.419 1.104 . . . . 25.0 110.247 -175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -73.84 -15.65 61.16 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 113.908 -1.496 . . . . 25.0 112.229 -177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -36.31 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -101.8 -9.3 20.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.543 ' HA ' HD13 ' B' ' 28' ' ' LEU . 57.8 m -61.91 156.91 19.67 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.789 0.662 . . . . 25.0 112.789 -176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.79 -11.14 49.46 Favored Glycine 0 C--O 1.223 -0.583 0 CA-C-N 115.712 -0.676 . . . . 25.0 113.277 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.76 -34.04 75.13 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.661 0.743 . . . . 25.0 110.754 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.58 -26.74 58.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.327 -1.306 . . . . 25.0 111.932 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.68 -30.66 4.15 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.453 -1.059 . . . . 25.0 110.453 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -113.52 154.06 27.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.64 0.733 . . . . 25.0 110.978 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -16.21 40.34 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -172.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -102.34 7.2 40.61 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.83 0.824 . . . . 25.0 109.719 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -131.15 157.73 42.39 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.021 -1.445 . . . . 25.0 108.789 -174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -156.65 144.71 19.51 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 177.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.62 151.9 43.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.944 0.402 . . . . 25.0 110.837 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -55.03 -46.36 75.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.117 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -57.99 -36.65 72.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.456 ' HG2' HD11 ' B' ' 28' ' ' LEU . 27.2 tp10 -67.44 -38.95 85.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.541 0.686 . . . . 25.0 109.861 -177.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.4 -37.75 87.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.691 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -63.41 -35.3 79.96 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -74.78 -49.65 20.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.57 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.68 -30.39 70.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.675 -0.641 . . . . 25.0 110.974 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.11 -42.48 96.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.042 -0.411 . . . . 25.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.94 -22.47 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.755 -0.778 . . . . 25.0 109.981 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -36.08 60.5 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.658 0.599 . . . . 25.0 111.3 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -93.21 -45.29 7.93 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -60.47 2.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.847 -0.615 . . . . 25.0 111.432 -172.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m 44.9 35.04 1.36 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.41 1.263 . . . . 25.0 114.41 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.49 -44.39 0.07 OUTLIER Glycine 0 C--O 1.224 -0.507 0 CA-C-O 121.689 0.605 . . . . 25.0 112.75 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.494 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -76.23 -9.1 58.37 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 121.589 -0.948 . . . . 25.0 112.989 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.504 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -66.31 -22.48 66.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 25.0 109.006 173.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -100.97 -36.97 8.83 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 122.888 1.328 . . . . 25.0 109.462 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -70.04 -16.57 63.17 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 114.632 -1.167 . . . . 25.0 111.174 -171.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.85 135.71 52.96 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 125.879 1.671 . . . . 25.0 108.871 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -120.42 -26.42 5.4 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -77.39 91.71 3.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 176.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -33.62 61.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.68 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.97 -40.72 78.69 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.716 -0.794 . . . . 25.0 110.547 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.68 49.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.565 0.698 . . . . 25.0 109.585 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.21 -33.98 67.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.74 -0.664 . . . . 25.0 111.564 -175.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.78 -49.9 74.49 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -72.33 -32.42 66.51 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.92 -40.43 26.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.516 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.2 mmt -68.38 -34.59 76.33 Favored 'General case' 0 CA--C 1.509 -0.601 0 O-C-N 121.018 -1.051 . . . . 25.0 111.75 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -77.05 -27.23 54.31 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.548 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.87 -47.36 78.17 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 105.091 -2.189 . . . . 25.0 105.091 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -29.21 70.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.864 -1.062 . . . . 25.0 112.257 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -39.66 78.34 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.561 -0.712 . . . . 25.0 110.957 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -85.81 -27.6 25.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.349 0.595 . . . . 25.0 111.261 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -105.05 7.65 34.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.591 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.3 -32.63 60.63 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 115.019 0.767 . . . . 25.0 115.019 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -79.58 -1.49 38.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.032 0.416 . . . . 25.0 111.665 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.72 37.06 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 109.744 -1.342 . . . . 25.0 109.744 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.35 147.69 52.4 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -148.76 175.25 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.608 -0.724 . . . . 25.0 109.629 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -128.47 -174.16 3.15 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.136 -0.353 . . . . 25.0 110.24 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -56.76 -40.03 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.493 ' O ' HG12 ' B' ' 75' ' ' VAL . 14.9 tt0 -67.77 -40.62 83.99 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.004 -0.435 . . . . 25.0 109.995 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.41 -32.77 73.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.582 -0.698 . . . . 25.0 110.134 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.63 -41.42 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.513 -0.742 . . . . 25.0 110.381 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.493 HG12 ' O ' ' B' ' 72' ' ' GLN . 1.3 p -65.95 -26.89 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.774 -0.579 . . . . 25.0 111.061 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.15 -40.7 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.176 -1.046 . . . . 25.0 108.176 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.299 -0.41 . . . . 25.0 111.798 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.39 -33.33 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 119.589 -0.844 . . . . 25.0 109.499 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.1 -20.7 60.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.35 70.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.685 -0.858 . . . . 25.0 108.685 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.5 mt -76.64 -35.35 58.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 -46.79 75.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.738 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.63 -33.23 60.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.702 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.42 -29.21 67.83 Favored 'General case' 0 C--O 1.206 -1.209 0 O-C-N 122.055 -0.403 . . . . 25.0 110.256 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 46.5 t -85.06 -51.65 6.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -100.96 -34.5 9.75 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -168.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -17.53 55.59 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 121.917 -0.489 . . . . 25.0 110.045 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.406 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 83.2 t80 -40.77 -24.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.663 2.468 . . . . 25.0 117.663 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 98.3 m-85 -78.44 10.93 2.73 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.661 0.784 . . . . 25.0 112.342 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.406 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.31 -18.25 57.64 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.358 0.663 . . . . 25.0 110.983 172.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.72 159.6 15.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -71.38 122.73 20.87 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.185 -0.606 . . . . 25.0 110.647 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.221 -0.9 . . . . 25.0 108.787 178.075 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.867 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' B' ' 40' ' ' GLU . 80.3 p -105.77 168.68 8.95 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.238 1.015 . . . . 25.0 111.379 -173.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -30.86 50.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 171.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -28.06 69.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -174.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.99 -27.48 49.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.73 -0.606 . . . . 25.0 111.028 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -70.23 -21.48 63.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.183 0.992 . . . . 25.0 109.291 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.69 -55.36 30.61 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.441 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -60.42 -26.71 66.91 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.59 -32.69 74.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.294 0.569 . . . . 25.0 110.684 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 46.9 p -74.91 -38.47 61.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.137 0.494 . . . . 25.0 111.04 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.78 -38.08 88.05 Favored 'General case' 0 C--O 1.207 -1.135 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -60.56 -41.16 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -46.28 75.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.826 0.079 . . . . 25.0 111.164 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -84.58 -30.42 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 112.415 0.524 . . . . 25.0 112.415 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.73 -58.06 5.85 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 122.616 1.198 . . . . 25.0 110.724 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -70.62 -17.56 62.88 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 25.0 111.545 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.96 79.69 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.364 -0.534 . . . . 25.0 109.655 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -106.36 -3.9 20.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 55.5 m -62.15 156.5 21.55 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.349 1.611 . . . . 25.0 115.349 -172.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.62 50.27 Favored Glycine 0 C--O 1.223 -0.581 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.651 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -70.42 -32.2 69.72 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 122.37 -0.488 . . . . 25.0 111.148 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -26.4 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.8 -30.86 4.08 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-O 118.825 -0.986 . . . . 25.0 115.168 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -96.05 153.91 17.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 119.236 1.518 . . . . 25.0 111.35 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.65 -21.0 61.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.459 -1.246 . . . . 25.0 113.849 -173.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.59 13.96 23.66 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 122.88 0.472 . . . . 25.0 112.072 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -131.55 153.49 49.8 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 121.669 0.747 . . . . 25.0 109.476 -172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.7 mt -152.44 161.39 42.67 Favored 'General case' 0 N--CA 1.438 -1.071 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.8 p -85.08 154.01 22.33 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.28 -42.47 86.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.484 0.183 . . . . 25.0 110.955 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -58.87 -35.48 73.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.11 -41.53 81.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.121 0.486 . . . . 25.0 109.799 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.624 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -56.13 -39.93 73.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.291 -0.413 . . . . 25.0 110.433 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -47.04 16.9 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.85 -30.81 71.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.311 -0.556 . . . . 25.0 110.317 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.47 -48.61 76.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 121.961 -0.462 . . . . 25.0 109.906 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.01 -25.0 47.7 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.588 -0.845 . . . . 25.0 111.528 -174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -28.74 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.191 -0.204 . . . . 25.0 110.77 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.45 -45.29 6.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.826 0.346 . . . . 25.0 111.71 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -64.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -172.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m 45.57 33.83 1.5 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.25 -50.96 0.06 OUTLIER Glycine 0 C--N 1.333 0.387 0 CA-C-O 122.008 0.782 . . . . 25.0 113.046 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -11.49 60.27 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.02 -23.69 66.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.068 175.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.67 -30.52 16.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.647 1.213 . . . . 25.0 108.579 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.8 -7.99 44.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.144 -1.389 . . . . 25.0 113.646 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' H ' ' HG3' ' A' ' 48' ' ' GLN . 11.5 mt-30 -72.09 120.92 18.37 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -113.21 -23.29 10.03 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.345 -0.222 . . . . 25.0 111.075 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -81.67 89.64 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.74 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.021 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.94 -33.02 73.87 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.764 -0.774 . . . . 25.0 111.248 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.7 -56.79 10.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.62 0.724 . . . . 25.0 109.416 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.8 -30.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 113.005 0.742 . . . . 25.0 113.005 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.099 0.476 . . . . 25.0 110.068 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -83.36 -32.15 26.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.432 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.72 -40.47 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.322 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.9 mmt -68.19 -36.18 79.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.129 -0.982 . . . . 25.0 110.323 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -27.21 63.11 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 119.798 -0.761 . . . . 25.0 110.697 176.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.79 -47.7 61.91 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 105.86 -1.904 . . . . 25.0 105.86 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.45 72.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.883 -1.053 . . . . 25.0 111.494 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.8 -38.11 82.89 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.92 -0.487 . . . . 25.0 111.99 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -82.08 -32.71 30.18 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 122.028 0.918 . . . . 25.0 111.041 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -103.8 8.49 37.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.536 -1.211 . . . . 25.0 113.47 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.52 -31.2 63.0 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 113.995 0.358 . . . . 25.0 113.995 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.34 0.25 42.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.43 -164.74 40.5 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 108.848 -1.701 . . . . 25.0 108.848 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.67 149.09 51.57 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -172.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -148.36 175.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.732 -1.122 . . . . 25.0 110.533 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.63 -174.06 3.19 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.553 0.341 . . . . 25.0 110.428 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.89 -38.6 76.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.931 0.715 . . . . 25.0 112.931 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -67.06 -39.13 86.84 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.83 -0.543 . . . . 25.0 110.022 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.72 -31.59 70.77 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.033 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.46 -44.94 73.77 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.275 -0.891 . . . . 25.0 110.524 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.5 OUTLIER -63.83 -32.38 56.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 122.004 -0.435 . . . . 25.0 111.788 -176.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -79.92 -28.11 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.494 -0.754 . . . . 25.0 110.01 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -29.32 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m -84.76 -33.93 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 118.997 -1.081 . . . . 25.0 109.791 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.37 -20.7 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.757 -0.589 . . . . 25.0 111.64 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.98 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.409 0.624 . . . . 25.0 109.798 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.82 -34.61 60.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -44.28 79.77 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.713 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.36 -32.13 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 119.527 -0.869 . . . . 25.0 110.563 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.26 -24.34 62.16 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -87.06 -51.56 5.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -103.51 -43.41 5.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.198 1.184 . . . . 25.0 114.198 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -20.73 64.74 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.847 -0.427 . . . . 25.0 109.847 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 82.8 t80 -40.96 -25.48 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 117.396 2.369 . . . . 25.0 117.396 176.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -79.12 11.1 2.97 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.232 0.613 . . . . 25.0 112.393 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.62 -22.93 37.61 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.661 0.784 . . . . 25.0 112.305 174.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -77.08 156.18 31.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.218 0.533 . . . . 25.0 109.658 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.76 122.48 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.43 -1.259 . . . . 25.0 113.819 -172.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.313 0 N-CA-C 110.822 -0.911 . . . . 25.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -105.74 148.0 27.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.89 -34.48 76.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.812 0.815 . . . . 25.0 109.502 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.88 -30.01 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.21 -24.34 37.5 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.639 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -22.28 65.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.97 -57.41 10.43 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.413 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ptp -60.12 -25.93 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.26 -32.98 74.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.535 0.683 . . . . 25.0 110.778 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.547 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.2 p -74.44 -38.22 63.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.435 -0.506 . . . . 25.0 111.122 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.31 86.45 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 175.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.44 -40.97 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -44.84 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -177.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.19 -29.38 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.16 -59.66 3.26 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 122.767 1.27 . . . . 25.0 111.192 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -68.89 -15.8 63.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.472 -1.695 . . . . 25.0 111.056 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 -32.14 71.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.787 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -107.15 -3.58 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' B' ' 28' ' ' LEU . 84.6 p -62.11 149.93 39.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -171.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.06 11.27 32.48 Favored Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.07 -0.968 . . . . 25.0 115.342 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.48 -23.64 60.09 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.225 1.012 . . . . 25.0 108.916 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -104.84 -16.21 14.96 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.499 -1.682 . . . . 25.0 112.579 -173.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 -7.19 9.17 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 117.922 1.929 . . . . 25.0 117.922 172.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.21 169.8 11.38 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.126 0.963 . . . . 25.0 113.123 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.84 -23.26 27.21 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -116.75 14.66 15.33 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.508 0.929 . . . . 25.0 113.508 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -124.92 165.49 18.0 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -175.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' B' ' 19' ' ' SER . 1.8 mt -154.87 152.46 29.8 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 83.9 p -78.78 148.19 33.05 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HE2' HG11 ' B' ' 69' ' ' VAL . 30.8 mttm -59.15 -39.08 81.3 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.225 -0.297 . . . . 25.0 111.391 -177.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -59.85 -39.56 85.59 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -67.49 -40.28 85.21 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.261 0.553 . . . . 25.0 110.195 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.37 -38.18 90.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 25.0 109.883 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -33.71 76.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.528 177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.54 -45.89 18.38 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.34 -29.34 68.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.751 -0.593 . . . . 25.0 110.094 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.89 -44.75 95.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.53 -23.32 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.716 -0.793 . . . . 25.0 111.002 -175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.21 -31.9 66.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.706 0.289 . . . . 25.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 3.4 mm-40 -98.14 -44.93 6.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.87 -65.41 1.01 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.171 -175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m 47.22 32.43 2.09 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.24 -53.75 0.08 OUTLIER Glycine 0 C--O 1.221 -0.685 0 C-N-CA 121.402 -0.427 . . . . 25.0 113.716 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.63 -22.31 63.48 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.476 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.23 -23.03 67.24 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.965 -1.016 . . . . 25.0 110.8 177.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.78 7.86 24.36 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.502 1.144 . . . . 25.0 109.303 -176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.01 12.41 19.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.703 -1.135 . . . . 25.0 110.479 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.21 128.74 33.88 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -109.79 -28.89 8.56 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.188 -0.32 . . . . 25.0 111.58 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -81.17 92.17 6.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.55 -34.14 67.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.617 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.966 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.72 -38.98 80.61 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.417 -0.913 . . . . 25.0 110.686 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.06 46.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.771 . . . . 25.0 109.047 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.91 -32.44 54.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 CA-C-N 115.723 -0.672 . . . . 25.0 112.35 -175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.14 -44.33 92.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.226 0.536 . . . . 25.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -72.71 -29.59 63.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.583 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -83.03 -39.89 15.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.422 -0.353 . . . . 25.0 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.9 mmt -67.57 -39.33 84.9 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.994 -1.066 . . . . 25.0 110.918 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -68.02 -28.66 67.6 Favored 'General case' 0 C--O 1.209 -1.068 0 C-N-CA 119.708 -0.797 . . . . 25.0 109.728 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.3 -45.14 57.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -29.75 70.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.6 -0.727 . . . . 25.0 110.976 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.6 -38.4 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.08 0.467 . . . . 25.0 111.826 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.93 -35.29 38.01 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 122.155 0.978 . . . . 25.0 110.458 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -104.2 3.59 33.02 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 114.778 1.399 . . . . 25.0 114.778 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.23 -31.97 66.79 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.778 -0.249 . . . . 25.0 113.709 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -82.06 -2.28 51.32 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.86 -161.63 37.56 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 109.033 -1.627 . . . . 25.0 109.033 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.12 147.92 49.64 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 113.057 0.762 . . . . 25.0 113.057 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.466 HG11 ' HE2' ' B' ' 30' ' ' LYS . 7.5 m -144.02 -178.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.565 -1.198 . . . . 25.0 107.781 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -126.56 -174.21 3.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.162 0.437 . . . . 25.0 111.242 -172.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.88 -41.35 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -61.16 -41.93 97.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -32.28 72.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 25.0 111.197 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.592 0.71 . . . . 25.0 109.549 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.01 -37.28 76.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.383 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.03 -36.86 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.19 -37.27 86.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.68 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.66 -29.27 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 119.584 -0.847 . . . . 25.0 109.0 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.58 60.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.01 70.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.45 -35.65 60.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.435 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -67.08 -46.33 74.6 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.67 -35.98 76.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.098 -0.641 . . . . 25.0 109.629 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.8 61.13 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.485 -178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.71 -45.13 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.067 1.136 . . . . 25.0 114.067 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -109.31 -34.78 6.45 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.51 -16.03 50.21 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 122.216 -0.302 . . . . 25.0 111.581 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 8.6 p90 -40.76 -19.27 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 119.559 3.17 . . . . 25.0 119.559 178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -88.26 10.57 19.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.545 -0.722 . . . . 25.0 110.933 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.449 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -56.56 -8.08 0.5 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 175.21 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.35 164.43 18.55 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -62.69 130.27 44.24 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.475 -0.89 . . . . 25.0 109.402 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.238 -176.484 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.315 -0.714 . . . . 25.0 111.315 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -73.76 159.33 33.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.722 -1.955 . . . . 25.0 105.722 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.47 -31.86 69.17 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.272 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -27.85 69.33 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.624 -175.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.28 -28.85 42.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 117.897 0.317 . . . . 25.0 111.583 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -22.42 62.88 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 122.287 1.042 . . . . 25.0 108.552 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.26 -57.91 9.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.1 ptp -57.53 -26.07 60.82 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.73 -32.28 73.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.636 0.731 . . . . 25.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 34.0 p -76.37 -37.54 57.07 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.986 -0.446 . . . . 25.0 111.051 -178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.35 80.48 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 175.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.39 -40.5 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -45.7 74.09 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.555 0.206 . . . . 25.0 111.555 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.32 -30.37 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -66.96 -55.5 14.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.168 0.985 . . . . 25.0 110.914 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -73.08 -14.39 61.39 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.146 -1.388 . . . . 25.0 111.557 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.61 75.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.2 -0.666 . . . . 25.0 109.2 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -109.99 -3.18 16.66 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.223 1.194 . . . . 25.0 114.223 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -68.71 161.25 28.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.383 -0.823 . . . . 25.0 110.702 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.1 -15.46 60.45 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.791 -0.719 . . . . 25.0 111.69 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -65.97 -27.94 68.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.656 -0.32 . . . . 25.0 110.217 174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -74.32 -29.73 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.59 0.709 . . . . 25.0 110.687 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.55 -30.63 4.19 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.349 -1.1 . . . . 25.0 110.349 -175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.92 156.03 23.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.377 0.608 . . . . 25.0 110.376 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -16.44 52.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.323 1.231 . . . . 25.0 114.323 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -109.76 5.86 23.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.563 0.697 . . . . 25.0 110.403 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.66 152.74 40.2 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.854 -1.066 . . . . 25.0 108.131 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 tp -156.17 148.72 23.74 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -74.33 152.85 39.53 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.862 0.363 . . . . 25.0 110.529 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -57.11 -44.11 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 25.0 110.474 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -59.36 -39.58 83.7 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.84 -39.0 92.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.208 0.528 . . . . 25.0 109.873 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.28 -38.39 90.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.187 -0.461 . . . . 25.0 110.432 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -65.92 -35.86 81.78 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.245 -0.28 . . . . 25.0 110.245 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.9 -42.91 47.67 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.08 -31.31 65.97 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.666 -0.646 . . . . 25.0 111.045 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.22 -44.21 97.07 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.779 -0.575 . . . . 25.0 110.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.28 -22.57 48.06 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.992 -0.683 . . . . 25.0 111.164 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -29.19 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -95.82 -45.4 6.99 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.465 . . . . 25.0 111.743 -173.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m 45.64 33.33 1.4 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.69 1.367 . . . . 25.0 114.69 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.84 -44.65 0.08 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-O 121.584 0.547 . . . . 25.0 112.952 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -75.21 -10.73 59.73 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.414 -1.05 . . . . 25.0 113.412 -177.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.17 -22.73 66.37 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.726 -1.124 . . . . 25.0 109.141 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.79 -30.92 10.57 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 124.25 1.976 . . . . 25.0 110.775 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -69.67 -14.4 62.79 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-O 124.467 2.079 . . . . 25.0 116.312 -174.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.49 146.82 51.61 Favored 'General case' 0 CA--C 1.482 -1.659 0 O-C-N 120.5 -1.375 . . . . 25.0 109.963 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.32 -32.29 2.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 113.416 -1.72 . . . . 25.0 114.286 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.44 93.83 3.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 25.0 110.414 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.52 -34.0 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.57 -0.741 . . . . 25.0 111.529 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.85 -39.37 79.94 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.581 -0.848 . . . . 25.0 110.616 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.19 58.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.513 0.673 . . . . 25.0 109.524 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.51 -33.37 61.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.64 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.91 -48.06 75.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.016 0.436 . . . . 25.0 110.277 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -69.16 -30.02 68.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 25.0 111.075 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.46 -44.17 21.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.739 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.194 -0.941 . . . . 25.0 110.868 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.72 -23.01 61.55 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.028 -0.669 . . . . 25.0 110.86 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -47.69 33.98 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -26.95 68.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.858 -1.064 . . . . 25.0 112.111 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -36.98 72.58 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.991 -0.684 . . . . 25.0 111.363 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.17 -28.77 22.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.526 0.679 . . . . 25.0 111.88 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -107.09 8.33 30.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.876 -172.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.99 -31.97 65.86 Favored Glycine 0 C--N 1.318 -0.428 0 N-CA-C 114.279 0.471 . . . . 25.0 114.279 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -87.46 9.74 19.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.86 -176.8 36.67 Favored Glycine 0 N--CA 1.436 -1.366 0 N-CA-C 106.916 -2.473 . . . . 25.0 106.916 171.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -119.87 144.62 47.29 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.337 -1.432 . . . . 25.0 112.772 -169.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.26 179.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.156 -0.929 . . . . 25.0 109.5 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.19 -174.11 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.183 -0.303 . . . . 25.0 110.183 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.09 -41.65 79.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.459 0.54 . . . . 25.0 112.459 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.06 -41.38 98.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.721 -0.474 . . . . 25.0 109.721 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.63 -31.75 71.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 25.0 111.273 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.93 -41.16 87.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.535 0.683 . . . . 25.0 109.318 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 HG13 ' B' ' 75' ' ' VAL . 41.6 t -59.53 -38.6 76.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.531 -0.759 . . . . 25.0 111.603 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.47 -37.82 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.56 -37.54 87.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.922 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.54 -31.23 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 119.508 -0.877 . . . . 25.0 109.261 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.18 -21.0 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.8 70.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -76.92 -35.24 57.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.881 -0.599 . . . . 25.0 109.695 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -65.8 -47.73 74.11 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.389 -0.369 . . . . 25.0 111.782 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.42 -33.81 64.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.532 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.16 -27.96 64.95 Favored 'General case' 0 C--O 1.202 -1.446 0 CA-C-N 116.618 -0.264 . . . . 25.0 110.768 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.7 t -85.36 -51.27 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.503 0.668 . . . . 25.0 112.633 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -101.39 -49.5 4.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -168.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -70.21 -16.22 63.03 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 119.361 -0.352 . . . . 25.0 110.5 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 72.1 t80 -40.53 -20.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 118.443 2.757 . . . . 25.0 118.443 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -87.3 11.05 15.26 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.881 0.872 . . . . 25.0 112.064 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.45 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.53 -6.01 0.26 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.203 1.801 . . . . 25.0 115.526 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.14 108.49 1.27 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.8 121.2 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.259 1.028 . . . . 25.0 112.925 -166.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 113.652 -1.613 . . . . 25.0 111.457 -175.041 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.352 0 N-CA-C 111.168 -0.773 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -105.64 144.38 32.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.74 -29.25 69.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.615 0.721 . . . . 25.0 110.114 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -28.18 68.54 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.77 -28.92 40.31 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.017 -0.673 . . . . 25.0 112.025 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -22.09 64.55 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.275 1.036 . . . . 25.0 109.449 177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.02 -58.77 6.07 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 114.948 -1.024 . . . . 25.0 112.302 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.7 ptp -57.13 -28.81 63.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.91 -33.98 76.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 25.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -72.79 -37.94 67.4 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.546 -0.461 . . . . 25.0 111.083 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -37.05 83.39 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.53 -38.78 82.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.909 0.336 . . . . 25.0 111.909 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -85.77 -32.08 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.02 -57.23 6.49 Favored 'General case' 0 CA--C 1.499 -0.981 0 CA-C-O 122.443 1.116 . . . . 25.0 110.352 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -70.47 -14.19 62.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.803 -1.544 . . . . 25.0 111.238 -176.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.3 76.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -99.09 -13.93 19.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 71.3 m -64.18 155.41 31.8 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.655 -0.653 . . . . 25.0 111.619 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.43 -20.47 30.09 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 111.648 -0.581 . . . . 25.0 111.648 -176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -64.74 -34.59 78.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -105.62 41.74 1.34 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 124.981 2.324 . . . . 25.0 116.673 -171.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.46 -30.7 9.12 Favored Glycine 0 C--N 1.286 -2.219 0 CA-C-N 112.653 -2.067 . . . . 25.0 114.193 169.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -143.93 164.88 29.31 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 121.855 0.836 . . . . 25.0 112.795 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -76.8 -15.5 59.71 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 125.76 1.624 . . . . 25.0 112.095 -170.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -110.24 6.52 22.65 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.212 1.006 . . . . 25.0 109.105 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -127.41 152.08 47.98 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 113.891 -1.504 . . . . 25.0 107.792 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.44 149.0 23.62 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.6 153.47 28.0 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.29 -0.564 . . . . 25.0 111.318 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -56.79 -40.42 75.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.901 -0.591 . . . . 25.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -55.33 -44.66 76.09 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.18 -38.11 81.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.464 0.65 . . . . 25.0 110.203 -176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.31 -38.19 90.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 25.0 109.993 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -64.61 -32.81 74.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.551 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -82.9 -39.78 21.06 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.84 -32.47 67.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.636 -0.665 . . . . 25.0 110.389 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.597 -0.689 . . . . 25.0 110.433 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.48 -22.36 51.43 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.043 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -31.65 22.51 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -92.22 -45.4 8.26 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.26 -61.86 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.892 -174.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 46.24 34.7 2.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.459 1.281 . . . . 25.0 114.459 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.6 -43.3 0.08 OUTLIER Glycine 0 C--O 1.225 -0.428 0 CA-C-O 121.428 0.46 . . . . 25.0 112.531 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.85 -14.48 61.09 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.364 -1.08 . . . . 25.0 113.353 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.508 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.24 -20.86 66.33 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.216 -0.902 . . . . 25.0 109.94 173.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.19 -26.01 13.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 123.489 1.614 . . . . 25.0 109.305 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.5 48.69 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 114.651 -1.159 . . . . 25.0 110.918 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.94 132.88 48.85 Favored 'General case' 0 C--N 1.279 -2.47 0 C-N-CA 125.695 1.598 . . . . 25.0 109.278 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -116.35 -29.33 6.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -76.68 92.91 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.21 0.528 . . . . 25.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.76 -35.76 74.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.929 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.41 -31.49 71.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 25.0 111.154 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.09 -54.77 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.837 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -64.48 -32.54 58.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.61 -44.33 86.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.292 0.568 . . . . 25.0 110.041 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -31.4 70.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.934 -177.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 65.1 t -77.52 -43.91 29.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.071 -0.513 . . . . 25.0 109.829 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.18 -40.73 96.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.472 -0.768 . . . . 25.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -71.58 -25.15 62.07 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.527 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.41 56.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 105.454 -2.054 . . . . 25.0 105.454 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -33.31 73.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.781 -1.1 . . . . 25.0 111.367 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.1 -33.64 74.91 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 121.717 -0.614 . . . . 25.0 112.356 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -86.64 -31.58 21.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.883 0.849 . . . . 25.0 111.807 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -103.47 4.58 36.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.977 -1.01 . . . . 25.0 113.527 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -30.82 73.82 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 116.055 -0.52 . . . . 25.0 113.64 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -0.98 48.67 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 -177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.72 -178.31 39.46 Favored Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 107.705 -2.158 . . . . 25.0 107.705 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -119.93 144.24 47.55 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 112.908 -1.646 . . . . 25.0 112.7 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -143.06 -179.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.144 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.42 -174.2 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 122.407 0.283 . . . . 25.0 110.578 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -57.34 -38.64 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.261 0.553 . . . . 25.0 109.652 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.51 -32.0 69.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.478 . . . . 25.0 110.397 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -68.22 -44.43 75.75 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.296 -0.878 . . . . 25.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -62.77 -31.53 52.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 122.031 -0.418 . . . . 25.0 111.912 -177.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.48 -27.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 121.382 -0.823 . . . . 25.0 110.289 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.7 mt -66.72 -29.95 70.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 174.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.43 -31.35 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 119.006 -1.077 . . . . 25.0 109.407 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.66 62.8 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.056 -0.403 . . . . 25.0 111.564 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.87 74.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.432 0.634 . . . . 25.0 109.454 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 31.3 mt -75.74 -34.0 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.2 -0.667 . . . . 25.0 109.2 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -45.2 78.29 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.729 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.9 m -68.66 -32.3 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.299 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.36 -26.53 63.77 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 122.144 -0.347 . . . . 25.0 110.364 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.41 -51.07 6.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -105.15 -38.39 6.57 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -170.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -20.33 62.21 Favored 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.526 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.0 OUTLIER -46.27 -20.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.612 1.708 . . . . 25.0 115.612 177.147 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -76.44 10.9 1.81 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.878 0.871 . . . . 25.0 112.717 173.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.526 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.98 -19.87 61.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.252 0.621 . . . . 25.0 110.662 174.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -73.81 154.85 39.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 123.8 17.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.353 0.597 . . . . 25.0 109.652 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.245 0.819 0 N-CA-C 107.096 -1.446 . . . . 25.0 107.096 -177.409 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -105.55 -178.09 3.55 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 124.35 1.06 . . . . 25.0 112.23 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.94 -32.39 40.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 25.0 110.308 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -33.69 73.69 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 113.325 0.861 . . . . 25.0 113.325 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.45 -28.81 56.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -66.06 -23.08 66.47 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 121.86 0.838 . . . . 25.0 109.932 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.17 29.63 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 114.789 -1.096 . . . . 25.0 113.846 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.3 ptp -61.23 -24.72 66.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.14 -33.45 75.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.17 0.51 . . . . 25.0 110.246 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.8 p -76.17 -38.76 56.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.932 -0.576 . . . . 25.0 111.535 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -37.43 87.35 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.34 -39.52 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.41 -46.17 73.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.922 0.139 . . . . 25.0 111.037 -177.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.7 m -85.53 -30.28 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.98 -58.6 5.17 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.46 1.124 . . . . 25.0 111.179 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.16 -14.59 62.33 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.171 -1.377 . . . . 25.0 111.17 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.81 79.79 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.489 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -103.65 -10.32 18.48 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' HD13 ' A' ' 28' ' ' LEU . 85.1 p -58.65 141.89 51.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.91 8.32 26.11 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.032 0.773 . . . . 25.0 115.032 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.27 -29.66 64.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.349 1.071 . . . . 25.0 110.371 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' A' ' 22' ' ' GLU . 1.6 pm0 -95.34 -16.91 22.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.058 -1.883 . . . . 25.0 110.692 -175.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.45 -7.77 7.47 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 117.105 1.602 . . . . 25.0 117.105 173.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -137.74 133.87 34.64 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.547 1.173 . . . . 25.0 112.486 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -72.45 -18.4 61.7 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.675 -0.641 . . . . 25.0 111.803 -175.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -82.35 -2.06 51.7 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.89 0.852 . . . . 25.0 111.552 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -130.55 170.97 13.55 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 113.907 -1.497 . . . . 25.0 109.808 -173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.1 tp -154.57 143.57 21.02 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 168.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.499 ' H ' HD12 ' A' ' 28' ' ' LEU . 97.4 p -67.64 148.51 51.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.46 -44.91 89.43 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.176 0.444 . . . . 25.0 111.217 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -55.05 -40.43 70.28 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 28' ' ' LEU . 24.6 tp10 -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 25.0 111.609 -175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.56 -37.79 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.875 -176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 -35.25 79.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.492 -0.322 . . . . 25.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.66 -40.36 20.82 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.74 -29.66 67.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.451 -0.781 . . . . 25.0 110.167 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.25 -43.59 94.42 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.071 -0.393 . . . . 25.0 110.103 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -80.12 -22.78 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.606 -0.683 . . . . 25.0 110.977 -175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.58 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.754 0.279 . . . . 25.0 111.754 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.18 -45.12 6.01 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -58.84 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 25.0 111.754 -174.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.92 24.57 0.37 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.77 -56.33 0.11 Allowed Glycine 0 C--O 1.228 -0.269 0 CA-C-O 121.76 0.644 . . . . 25.0 112.828 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -70.39 -21.59 62.84 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -173.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.11 -27.18 66.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.219 -0.9 . . . . 25.0 110.12 176.261 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -100.84 -25.67 14.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.717 1.246 . . . . 25.0 109.492 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 44' ' ' PHE . . . -68.53 -9.86 51.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.348 -1.296 . . . . 25.0 112.306 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -63.85 140.84 58.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 122.64 0.376 . . . . 25.0 111.652 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -123.15 -20.89 5.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -74.93 96.15 3.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.147 0.499 . . . . 25.0 110.086 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.66 -34.69 63.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 123.065 0.546 . . . . 25.0 112.37 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -70.63 -35.66 73.04 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.899 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.67 50.5 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.472 -0.491 . . . . 25.0 109.85 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.4 -34.46 69.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.841 -0.344 . . . . 25.0 111.287 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -65.88 -42.6 90.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.971 0.415 . . . . 25.0 110.797 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -78.84 -28.84 44.36 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.5 t -80.91 -42.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 122.064 0.146 . . . . 25.0 110.784 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.24 -0.984 . . . . 25.0 109.57 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -20.69 63.95 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.777 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -78.42 -50.57 11.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.162 -1.792 . . . . 25.0 106.162 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -30.62 71.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.459 -0.792 . . . . 25.0 111.122 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.88 -36.86 83.25 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.922 -0.486 . . . . 25.0 112.271 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -84.38 -32.08 24.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.945 0.878 . . . . 25.0 111.747 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -105.28 2.09 28.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.41 -1.268 . . . . 25.0 113.999 -169.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.72 -31.35 63.91 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.541 0.577 . . . . 25.0 114.541 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.28 -9.41 58.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.837 0.318 . . . . 25.0 111.266 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.69 -161.2 37.09 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-O 122.663 1.146 . . . . 25.0 110.549 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 8.1 pt-20 -137.55 153.54 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.333 1.234 . . . . 25.0 114.333 -173.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.53 -178.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.367 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -127.43 -174.11 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.825 0.284 . . . . 25.0 110.627 -174.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.06 -39.7 79.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 75' ' ' VAL . 27.4 tt0 -65.79 -39.1 90.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.808 -0.558 . . . . 25.0 109.732 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -34.18 76.83 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.803 -0.759 . . . . 25.0 110.14 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -67.39 -43.02 82.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.918 -0.489 . . . . 25.0 110.931 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -62.2 -30.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.045 -0.409 . . . . 25.0 111.394 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.58 -39.96 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.95 -34.56 77.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.433 -0.349 . . . . 25.0 111.76 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.09 -34.89 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 119.393 -0.923 . . . . 25.0 109.509 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.6 -20.63 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.979 -0.451 . . . . 25.0 111.826 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -33.82 74.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.049 -0.722 . . . . 25.0 109.049 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.16 -36.71 69.39 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -47.5 71.8 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.694 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.7 m -67.12 -33.56 63.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.05 -0.66 . . . . 25.0 110.381 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -33.97 62.65 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.562 -0.455 . . . . 25.0 109.878 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.17 -48.16 16.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -105.27 -46.35 4.25 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.314 21.4 m120 -73.56 -16.5 61.26 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 124.962 1.305 . . . . 25.0 112.919 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.479 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 13.4 p90 -47.69 -15.99 0.06 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.801 2.149 . . . . 25.0 116.801 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -83.08 11.19 6.65 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-O 121.945 0.879 . . . . 25.0 110.163 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.54 -7.95 0.48 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.913 1.449 . . . . 25.0 114.913 176.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -54.53 117.44 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.229 1.014 . . . . 25.0 110.843 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -94.76 135.27 36.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.547 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.239 0.507 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 -177.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.413 0 N-CA-C 112.84 -0.104 . . . . 25.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.1 p -76.17 163.26 27.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.581 0.705 . . . . 25.0 109.555 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.86 -38.96 69.99 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.342 -0.849 . . . . 25.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -31.42 72.61 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.34 -30.14 60.17 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -70.29 -22.76 62.82 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -52.45 -54.26 34.64 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -177.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.7 ptp -59.74 -26.11 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.01 -32.61 74.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.424 0.631 . . . . 25.0 110.845 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.6 p -77.75 -35.38 51.87 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.379 -0.528 . . . . 25.0 111.216 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.61 -35.76 81.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.4 -39.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.425 ' ND2' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.21 74.8 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 123.295 0.372 . . . . 25.0 111.754 -176.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG13 ' ND2' ' B' ' 13' ' ' ASN . 33.1 m -86.82 -29.13 5.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -68.46 -58.75 3.85 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 122.594 1.187 . . . . 25.0 111.158 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.63 -14.11 62.35 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 113.834 -1.53 . . . . 25.0 111.049 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.22 75.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.036 -0.728 . . . . 25.0 109.036 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -107.57 -3.32 19.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.487 ' HA ' HD13 ' B' ' 28' ' ' LEU . 78.2 p -61.51 154.79 23.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -174.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.39 9.66 52.75 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 115.343 0.897 . . . . 25.0 115.343 175.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -70.85 -29.46 65.6 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.567 1.175 . . . . 25.0 109.526 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' B' ' 22' ' ' GLU . 2.0 pm0 -98.01 -15.0 20.25 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.868 -1.969 . . . . 25.0 112.039 -174.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.13 7.74 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 117.439 1.735 . . . . 25.0 117.439 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -133.17 151.16 51.97 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.745 2.128 . . . . 25.0 116.745 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -26.87 68.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 -175.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.37 9.2 23.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.07 157.37 29.07 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.518 HD12 ' H ' ' B' ' 29' ' ' SER . 2.1 tp -147.95 141.12 25.05 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.518 ' H ' HD12 ' B' ' 28' ' ' LEU . 79.2 p -70.44 146.43 50.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.788 -1.19 . . . . 25.0 107.788 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' B' ' 69' ' ' VAL . 32.4 mttm -56.11 -42.75 77.3 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -176.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -56.03 -38.12 70.11 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.471 ' HG2' HD11 ' B' ' 28' ' ' LEU . 14.1 tp10 -69.46 -40.12 77.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.375 0.607 . . . . 25.0 110.115 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.87 -38.26 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.75 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -60.01 -38.77 83.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.487 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -82.73 -41.25 19.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.41 -31.22 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.849 -0.74 . . . . 25.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -44.15 92.29 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.989 -0.444 . . . . 25.0 110.843 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.55 -22.61 43.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.584 -0.846 . . . . 25.0 111.172 -173.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -31.11 56.29 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.174 0.296 . . . . 25.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -96.96 -44.56 6.96 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -66.53 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.803 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.86 30.37 1.2 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.96 -56.96 0.08 OUTLIER Glycine 0 C--O 1.224 -0.496 0 CA-C-O 122.057 0.809 . . . . 25.0 113.468 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.505 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -59.99 -26.97 66.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.304 -0.862 . . . . 25.0 109.598 175.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.59 -23.23 17.73 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.661 1.22 . . . . 25.0 109.419 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.49 -12.35 60.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.494 -1.23 . . . . 25.0 111.867 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -65.88 141.42 58.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.661 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -123.08 -23.86 4.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -74.7 95.49 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 25.0 110.891 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.88 -34.74 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.37 -37.01 74.5 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.234 -0.986 . . . . 25.0 110.123 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.62 -50.21 53.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.57 -36.11 75.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.404 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.48 -46.98 74.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.991 0.424 . . . . 25.0 111.031 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -76.96 -24.79 52.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -174.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -86.18 -40.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 122.53 0.332 . . . . 25.0 110.614 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 73.8 mmm -62.96 -41.36 99.51 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 119.361 -0.936 . . . . 25.0 108.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -72.51 -24.57 61.17 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -70.92 -46.79 61.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 105.716 -1.957 . . . . 25.0 105.716 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -32.85 74.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.614 -1.176 . . . . 25.0 110.4 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.96 -34.3 77.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -85.34 -32.31 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.904 0.859 . . . . 25.0 111.477 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -103.68 3.67 34.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.912 -1.04 . . . . 25.0 113.1 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.09 -31.41 72.83 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.004 0.761 . . . . 25.0 115.004 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -80.46 -1.13 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.735 0.303 . . . . 25.0 111.543 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.71 -160.46 36.57 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.921 -1.672 . . . . 25.0 108.921 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -142.69 148.18 36.91 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -174.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.443 HG11 ' HE2' ' B' ' 30' ' ' LYS . 10.5 m -146.49 -179.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.205 -1.361 . . . . 25.0 108.575 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -127.2 -174.26 3.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.404 0.547 . . . . 25.0 112.089 -171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -56.96 -41.95 79.25 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -62.94 -39.06 93.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.54 -31.49 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.267 -0.573 . . . . 25.0 111.221 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -68.12 -40.49 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 75' ' ' VAL . 39.7 t -59.09 -37.36 67.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.564 -0.743 . . . . 25.0 111.572 176.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.6 t -70.27 -38.53 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.74 -36.06 83.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.796 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.77 -32.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 119.469 -0.892 . . . . 25.0 109.133 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.09 -20.57 60.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.74 -36.78 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -43.85 78.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.199 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -68.27 -34.14 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.829 -0.748 . . . . 25.0 109.909 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.4 68.52 Favored 'General case' 0 C--O 1.207 -1.159 0 C-N-CA 119.826 -0.749 . . . . 25.0 109.378 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.61 -42.6 24.59 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -112.67 -33.07 6.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 -170.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -81.83 -21.16 37.77 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.603 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 3.8 p90 -43.88 -15.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 118.135 2.642 . . . . 25.0 118.135 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.22 5.44 10.27 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.987 -0.446 . . . . 25.0 111.411 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.42 -8.27 2.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 177.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -63.41 138.22 58.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.801 0.81 . . . . 25.0 111.341 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -94.7 156.17 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 25.0 109.459 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.251 1.171 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.522 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.848 0 N-CA-C 111.286 -0.726 . . . . 25.0 111.286 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -105.55 -178.48 3.67 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 123.408 0.683 . . . . 25.0 109.282 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -79.7 -18.79 50.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.287 0.565 . . . . 25.0 110.375 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -25.3 66.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -31.18 44.15 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.242 0.544 . . . . 25.0 111.97 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -25.13 67.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.674 1.226 . . . . 25.0 108.105 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.14 -57.91 9.84 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 121.41 -0.806 . . . . 25.0 112.488 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 ptp -59.26 -27.62 65.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.275 0.472 . . . . 25.0 112.275 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.09 -34.12 76.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 25.0 110.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 30.2 p -76.2 -36.42 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 111.584 -177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.83 -37.57 88.07 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 108.875 -0.787 . . . . 25.0 108.875 174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.69 -39.62 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -47.33 76.98 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 116.677 -0.238 . . . . 25.0 111.283 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 4' ' ' LEU . 21.7 m -81.85 -31.55 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.0 -57.79 6.19 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 122.455 1.121 . . . . 25.0 109.838 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -73.07 -14.35 61.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.918 -1.492 . . . . 25.0 111.197 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -98.08 -4.49 35.77 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -67.83 156.29 37.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.94 -7.8 41.8 Favored Glycine 0 C--O 1.223 -0.553 0 CA-C-N 114.867 -1.06 . . . . 25.0 111.825 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -67.48 -27.96 67.45 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 122.585 -0.362 . . . . 25.0 110.405 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -77.97 -27.62 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.668 0.747 . . . . 25.0 110.784 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.6 -30.77 4.14 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 -175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -114.78 160.14 19.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.471 0.653 . . . . 25.0 109.98 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.82 -15.09 26.92 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.142 1.377 . . . . 25.0 112.087 -168.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -108.58 5.12 24.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.231 1.015 . . . . 25.0 108.803 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.79 157.15 43.62 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -155.16 160.21 40.74 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.7 p -82.32 152.2 26.39 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.152 -0.619 . . . . 25.0 109.333 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -58.28 -39.89 80.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.505 0.193 . . . . 25.0 111.137 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -59.21 -35.36 73.49 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -69.77 -39.83 76.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.525 0.679 . . . . 25.0 109.777 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.05 -38.33 90.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.411 -0.813 . . . . 25.0 110.665 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.07 -41.67 79.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.229 -0.441 . . . . 25.0 110.859 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -82.66 -39.43 22.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.71 -30.25 69.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.13 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.58 -42.18 98.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 121.978 -0.451 . . . . 25.0 110.692 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -81.86 -22.56 36.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.084 -0.646 . . . . 25.0 110.348 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -36.39 55.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.267 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -92.99 -45.16 8.07 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.2 tt -85.49 -58.77 2.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 25.0 112.123 -172.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p 45.78 26.75 0.39 Allowed 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 117.063 2.246 . . . . 25.0 117.063 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.74 -56.36 0.09 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.853 0.696 . . . . 25.0 113.405 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -70.41 -17.79 63.02 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -174.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.96 -25.83 68.54 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.987 -1.006 . . . . 25.0 109.392 175.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.09 -16.55 17.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 122.875 1.321 . . . . 25.0 109.489 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 -11.02 60.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.649 -1.16 . . . . 25.0 110.802 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -67.83 129.72 40.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.416 -0.356 . . . . 25.0 111.195 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -115.61 -21.39 9.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 122.473 0.309 . . . . 25.0 111.452 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -75.65 97.87 3.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 25.0 110.998 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.15 -34.07 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.965 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.4 -37.02 74.4 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.244 -0.982 . . . . 25.0 110.032 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.65 -50.6 57.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.546 -0.538 . . . . 25.0 109.546 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.88 -35.75 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.76 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.64 -42.26 95.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.951 0.405 . . . . 25.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -79.66 -29.31 40.84 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.6 -40.38 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 122.094 0.158 . . . . 25.0 110.783 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.5 mtm -63.54 -41.88 98.43 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.264 -0.975 . . . . 25.0 109.56 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -72.54 -19.58 61.48 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.498 -0.481 . . . . 25.0 112.261 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -49.04 17.94 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -32.2 73.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.128 -176.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -66.42 -34.46 78.01 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 121.765 -0.585 . . . . 25.0 112.126 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -85.69 -32.7 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.728 0.775 . . . . 25.0 112.104 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -106.67 4.56 27.97 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.692 -1.14 . . . . 25.0 113.595 -169.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.56 -31.6 67.32 Favored Glycine 0 CA--C 1.508 -0.403 0 CA-C-N 116.46 -0.336 . . . . 25.0 113.661 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.08 2.48 39.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.75 -178.34 35.09 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 106.48 -2.648 . . . . 25.0 106.48 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.11 148.95 48.32 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 113.223 -1.489 . . . . 25.0 113.996 -169.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.49 -178.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 113.879 -1.51 . . . . 25.0 109.727 -174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -131.1 -174.13 3.3 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.118 -0.364 . . . . 25.0 110.919 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.01 -38.78 73.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.8 tt0 -66.37 -40.85 89.98 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -177.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.02 -31.55 70.44 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.593 -0.692 . . . . 25.0 110.462 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -67.73 -42.58 81.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.671 -0.643 . . . . 25.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.55 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -63.52 -28.41 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 121.873 -0.517 . . . . 25.0 111.227 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.57 -40.08 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.68 -34.26 77.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.53 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.41 -33.21 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 119.389 -0.924 . . . . 25.0 109.578 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.13 -20.67 63.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.769 -0.582 . . . . 25.0 111.926 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.55 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.58 -37.18 71.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -45.39 76.14 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.773 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.9 m -68.91 -32.04 53.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.212 -177.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.81 -25.45 59.04 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.626 -0.671 . . . . 25.0 110.511 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -84.09 -52.66 6.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -104.55 -42.12 5.52 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -170.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 121.678 -0.639 . . . . 25.0 109.33 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.521 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -45.9 -21.9 0.16 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.575 1.694 . . . . 25.0 115.575 175.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -76.8 11.09 1.85 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.597 -0.729 . . . . 25.0 112.52 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -62.03 -17.28 56.76 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.861 0.864 . . . . 25.0 109.824 173.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -111.8 168.25 9.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.518 0.675 . . . . 25.0 111.569 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -86.12 77.98 9.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 123.291 1.52 . . . . 25.0 108.626 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--N 1.306 -1.29 0 CA-C-N 112.487 -2.142 . . . . 25.0 111.867 178.754 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.487 0 N-CA-C 110.659 -0.977 . . . . 25.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -78.03 160.94 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.375 0.607 . . . . 25.0 110.985 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.38 -42.13 88.37 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.78 -0.575 . . . . 25.0 112.516 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.47 HD22 HG11 ' A' ' 14' ' ' VAL . 2.2 pt? -68.27 -28.47 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.96 -30.59 31.64 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.873 -0.731 . . . . 25.0 111.702 176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.9 m -67.63 -22.39 65.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.548 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.24 -56.74 14.12 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.699 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.2 ptp -61.42 -24.16 66.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.97 -32.24 73.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.517 0.675 . . . . 25.0 110.626 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.8 p -75.08 -38.69 61.18 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.236 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -37.24 86.03 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mt -61.17 -42.01 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.7 77.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -176.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -85.49 -29.93 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -68.14 -59.51 3.18 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.134 0.969 . . . . 25.0 110.112 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -66.63 -19.08 65.69 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.093 -1.412 . . . . 25.0 110.991 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.67 91.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.383 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -105.43 -4.16 21.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.6 m -68.54 157.61 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.1 1.518 . . . . 25.0 115.1 -174.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.81 -8.65 31.91 Favored Glycine 0 CA--C 1.508 -0.35 0 CA-C-N 114.99 -1.004 . . . . 25.0 112.672 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.69 -38.04 86.35 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -99.27 41.76 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 125.267 2.461 . . . . 25.0 116.031 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 -30.74 6.66 Favored Glycine 0 C--N 1.286 -2.206 0 CA-C-N 112.141 -2.299 . . . . 25.0 115.248 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.09 157.2 46.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.315 1.055 . . . . 25.0 112.33 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -66.14 -16.33 63.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.489 1.515 . . . . 25.0 113.957 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -107.35 11.12 29.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.265 0.555 . . . . 25.0 110.284 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -130.32 149.24 52.1 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.396 -0.82 . . . . 25.0 109.771 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.0 mt -154.41 157.28 38.25 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.3 p -76.27 156.47 33.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -58.15 -42.56 86.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.964 -0.294 . . . . 25.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -59.35 -38.75 81.17 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.96 -36.19 83.14 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.332 0.586 . . . . 25.0 110.809 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.28 -38.34 87.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.546 . . . . 25.0 110.371 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 -34.13 76.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.62 -42.3 52.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.675 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.31 -30.81 62.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.728 -0.608 . . . . 25.0 110.952 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.34 -42.02 99.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.79 -0.569 . . . . 25.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.05 -22.29 45.59 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.553 -0.459 . . . . 25.0 110.602 -174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -32.32 44.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.438 0.461 . . . . 25.0 111.469 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -98.47 -45.13 6.23 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 114.09 1.144 . . . . 25.0 114.09 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.688 HD22 ' H ' ' B' ' 44' ' ' PHE . 1.5 tt -81.49 -59.03 2.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.062 -174.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 46.73 26.08 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.78 -57.65 0.1 OUTLIER Glycine 0 C--O 1.226 -0.387 0 CA-C-O 121.937 0.743 . . . . 25.0 113.232 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.688 ' H ' HD22 ' B' ' 41' ' ' LEU . 0.6 OUTLIER -68.2 -23.19 64.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -174.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.487 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.78 -24.94 67.17 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.167 -0.924 . . . . 25.0 110.59 177.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.74 -19.63 14.67 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.723 1.249 . . . . 25.0 109.332 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.88 -2.54 37.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.491 -1.231 . . . . 25.0 112.051 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -70.75 143.52 51.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.775 0.321 . . . . 25.0 111.351 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -116.73 -27.21 6.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.609 0.364 . . . . 25.0 111.812 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -76.17 92.66 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 25.0 110.948 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.51 -35.07 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.012 0.375 . . . . 25.0 112.012 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.05 -38.16 75.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.282 -0.967 . . . . 25.0 109.939 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.45 59.01 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -64.41 -36.03 76.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.535 -0.466 . . . . 25.0 110.361 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -65.27 -48.43 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.895 0.379 . . . . 25.0 110.683 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -75.14 -28.99 60.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.9 t -86.68 -40.31 14.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.968 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 47.1 mtm -65.6 -33.42 75.86 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 118.918 -1.113 . . . . 25.0 110.077 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -75.95 -28.64 58.01 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.805 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.6 -48.6 66.35 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 106.29 -1.744 . . . . 25.0 106.29 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -30.15 71.35 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.891 -1.049 . . . . 25.0 110.796 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.62 -38.08 77.1 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.531 -0.731 . . . . 25.0 112.583 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.33 -31.39 26.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.721 0.772 . . . . 25.0 110.701 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -100.43 6.34 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.015 -0.993 . . . . 25.0 112.024 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.74 -26.76 67.31 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.745 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.65 2.95 35.01 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 123.899 0.411 . . . . 25.0 111.552 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.32 -179.1 34.11 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 107.861 -2.095 . . . . 25.0 107.861 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -117.52 141.22 48.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 112.9 -1.65 . . . . 25.0 114.471 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 m -148.16 -178.76 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.52 -1.218 . . . . 25.0 111.15 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -133.04 -174.16 3.4 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -171.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -56.29 -39.52 72.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.6 -38.3 90.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.79 -38.5 91.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 25.0 110.154 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -63.69 -40.87 97.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 25.0 109.119 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.55 HG12 HG13 ' A' ' 75' ' ' VAL . 18.1 t -58.4 -38.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.025 175.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.17 -39.19 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.95 -35.4 79.89 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -74.94 -33.15 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.2 -20.61 61.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.73 -35.02 75.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.08 -37.36 72.45 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -42.26 80.41 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.04 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.521 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.9 m -68.48 -34.94 68.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 119.192 -1.003 . . . . 25.0 110.044 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.9 60.21 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.71 -0.618 . . . . 25.0 110.343 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.4 t -85.63 -43.36 13.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.98 -34.57 3.5 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.782 1.401 . . . . 25.0 114.782 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -69.17 -17.92 63.87 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 177.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.583 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.7 OUTLIER -49.4 -15.64 0.15 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.714 1.746 . . . . 25.0 115.714 176.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -76.43 10.94 1.78 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.149 0.58 . . . . 25.0 111.892 172.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.583 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.54 -14.4 41.73 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.565 0.746 . . . . 25.0 111.93 176.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.62 137.49 55.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.382 -0.969 . . . . 25.0 108.382 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.98 125.05 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.528 0.68 . . . . 25.0 109.469 -177.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.248 0.986 0 CA-C-N 114.683 -1.144 . . . . 25.0 111.202 -177.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 CA-C-O 119.227 -0.763 . . . . 25.0 111.571 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -66.87 156.34 35.96 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.799 -1.556 . . . . 25.0 106.799 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.69 -46.79 89.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.25 -32.73 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.03 -23.09 36.1 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 119.921 -0.712 . . . . 25.0 111.464 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -74.4 -22.27 59.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.34 -57.24 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 175.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.417 ' H ' ' HG2' ' A' ' 8' ' ' MET . 14.8 ptp -60.94 -24.42 66.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.0 -31.35 72.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.405 0.622 . . . . 25.0 110.082 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 31.0 p -77.44 -37.65 51.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.085 -0.385 . . . . 25.0 111.182 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -37.07 86.35 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.17 -42.73 94.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -46.19 72.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.103 0.252 . . . . 25.0 111.282 -177.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -84.67 -31.27 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.94 -56.96 7.95 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.619 1.199 . . . . 25.0 110.613 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -70.85 -18.1 62.71 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.55 -1.659 . . . . 25.0 111.418 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.63 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.231 -0.588 . . . . 25.0 109.784 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.99 -5.96 25.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.0 m -60.82 154.71 21.23 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 115.396 1.628 . . . . 25.0 115.396 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.85 6.07 49.83 Favored Glycine 0 C--O 1.221 -0.662 0 CA-C-N 114.967 -1.015 . . . . 25.0 113.454 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.28 -28.38 64.09 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.212 -0.581 . . . . 25.0 110.867 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -26.53 23.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.85 -30.87 4.06 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-O 118.792 -1.004 . . . . 25.0 115.58 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -98.05 156.38 16.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.401 1.6 . . . . 25.0 111.149 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.34 -21.74 58.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 -174.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.64 11.87 29.95 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.232 0.539 . . . . 25.0 111.728 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -132.77 154.74 49.95 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -171.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 28' ' ' LEU . 4.5 mt -152.8 158.54 42.39 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -83.86 151.49 25.1 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -57.24 -40.06 76.82 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -58.36 -34.33 70.56 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -69.16 -38.98 79.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.052 0.453 . . . . 25.0 110.038 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.79 -37.95 89.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.555 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.87 -38.05 86.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 25.0 110.228 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -42.81 24.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.18 -30.88 70.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.568 . . . . 25.0 109.767 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.14 -45.18 89.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.772 -0.58 . . . . 25.0 109.793 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -78.09 -22.48 48.89 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.135 -0.626 . . . . 25.0 111.585 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 -27.16 40.89 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -101.79 -44.89 5.4 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -86.3 -61.03 1.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.799 -175.509 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.73 23.62 0.68 Allowed 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.69 -56.61 0.11 Allowed Glycine 0 C--O 1.226 -0.374 0 CA-C-O 121.848 0.693 . . . . 25.0 112.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.48 -19.54 62.93 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 114.065 1.135 . . . . 25.0 114.065 -173.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.6 -25.48 68.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.18 -0.918 . . . . 25.0 109.62 176.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -102.35 -18.56 15.36 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.731 1.253 . . . . 25.0 109.367 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.82 -12.62 61.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.73 -1.123 . . . . 25.0 110.419 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.42 133.51 52.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.643 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -117.83 -21.81 8.24 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.551 0.34 . . . . 25.0 111.411 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -74.52 97.21 3.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.42 0.629 . . . . 25.0 111.503 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.25 -34.24 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.564 -0.744 . . . . 25.0 112.062 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -70.34 -37.98 74.77 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.336 -0.946 . . . . 25.0 110.168 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.99 60.64 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.65 -35.88 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.709 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.25 -40.61 94.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.093 -0.379 . . . . 25.0 110.799 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -80.93 -31.36 35.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -81.53 -39.79 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 mtm -63.57 -42.78 98.3 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 119.42 -0.912 . . . . 25.0 110.062 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.38 -32.02 71.8 Favored 'General case' 0 C--O 1.204 -1.312 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.134 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -48.48 71.68 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -32.83 74.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.389 -0.823 . . . . 25.0 110.879 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.05 -35.12 76.22 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.61 -35.53 33.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.072 0.939 . . . . 25.0 110.907 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -103.55 6.28 37.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 -169.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.26 -32.44 67.75 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 114.801 0.68 . . . . 25.0 114.801 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -86.25 3.33 43.63 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.968 0.359 . . . . 25.0 111.968 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.54 -166.05 42.03 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 107.513 -2.235 . . . . 25.0 107.513 174.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -128.98 146.83 50.87 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.622 -0.789 . . . . 25.0 112.777 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.65 178.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.28 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -131.92 -174.22 3.36 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.562 0.345 . . . . 25.0 110.551 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -56.28 -41.62 76.18 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -65.16 -38.77 91.6 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.33 -31.18 69.46 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.242 -0.912 . . . . 25.0 110.744 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -40.59 85.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.611 0.719 . . . . 25.0 109.19 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.732 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.5 -37.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.309 176.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.02 -41.24 81.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.26 -34.64 78.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.191 -0.913 . . . . 25.0 112.157 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.75 -34.16 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.307 -0.957 . . . . 25.0 109.085 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.3 -20.7 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.941 -0.475 . . . . 25.0 111.542 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.76 75.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.61 -36.75 73.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -45.42 75.22 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.593 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.8 m -68.95 -32.62 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 119.648 -0.821 . . . . 25.0 110.792 -177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.44 62.35 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.01 -0.431 . . . . 25.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.99 -51.83 6.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -101.9 -50.21 3.74 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.611 -169.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -61.25 -20.72 63.16 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.464 -0.334 . . . . 25.0 111.392 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 49.0 t80 -41.1 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 118.092 2.627 . . . . 25.0 118.092 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.72 11.15 4.04 Favored 'General case' 0 CA--C 1.556 1.189 0 O-C-N 121.507 -0.745 . . . . 25.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.446 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.46 -5.51 0.21 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 176.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.67 105.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 25.0 110.12 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -73.44 128.8 36.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.506 0.669 . . . . 25.0 109.899 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -174.646 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.411 0 N-CA-C 111.122 -0.791 . . . . 25.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -74.7 148.07 40.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.224 0.535 . . . . 25.0 110.247 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.08 -38.87 92.16 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.551 -0.718 . . . . 25.0 109.487 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -28.34 68.58 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.14 -25.26 34.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 119.881 -0.728 . . . . 25.0 111.111 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.3 m -69.07 -22.25 64.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.13 -58.31 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.775 -0.648 . . . . 25.0 112.017 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -58.81 -27.53 65.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.28 -35.94 76.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.648 0.737 . . . . 25.0 110.817 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.6 p -73.63 -38.55 65.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.745 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -36.89 85.13 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.055 -0.72 . . . . 25.0 109.055 176.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.62 -40.97 90.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -45.05 79.29 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 123.442 0.464 . . . . 25.0 111.35 -175.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -83.2 -33.21 9.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.962 0 CA-C-O 123.848 1.785 . . . . 25.0 113.664 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.26 -56.17 7.43 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 122.789 1.281 . . . . 25.0 111.762 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -69.37 -17.16 63.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.976 -1.465 . . . . 25.0 110.178 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.88 81.43 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -101.68 -8.97 21.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.6 m -63.45 161.82 13.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.91 -1.64 48.19 Favored Glycine 0 C--O 1.221 -0.664 0 CA-C-N 115.946 -0.57 . . . . 25.0 112.552 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -72.79 -28.4 62.56 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.297 -0.531 . . . . 25.0 112.285 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -26.69 37.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.79 -31.21 3.99 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.348 -0.842 . . . . 25.0 113.745 -176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -96.78 148.8 22.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.696 1.248 . . . . 25.0 110.405 171.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -16.4 61.97 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 114.769 1.396 . . . . 25.0 114.769 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.45 6.64 30.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.13 0.491 . . . . 25.0 110.797 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -117.76 148.9 41.61 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-O 122.159 0.98 . . . . 25.0 110.335 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tp -149.15 150.24 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 106.863 -1.532 . . . . 25.0 106.863 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -79.6 153.08 29.69 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -57.28 -44.62 84.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 121.156 -0.218 . . . . 25.0 111.051 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.2 -38.91 71.62 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.965 1.098 . . . . 25.0 113.965 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.97 -36.46 82.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.431 0.634 . . . . 25.0 110.86 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.19 -36.07 82.42 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.677 -0.692 . . . . 25.0 110.619 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -63.95 -37.77 88.63 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -76.29 -42.64 44.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.678 -174.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.27 -31.9 68.06 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.87 -0.732 . . . . 25.0 109.816 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.19 95.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.752 -0.592 . . . . 25.0 110.249 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.52 -22.75 53.99 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.876 -0.73 . . . . 25.0 110.893 -174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.77 -32.6 25.32 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.99 -38.87 12.56 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.568 0.699 . . . . 25.0 112.227 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.48 -62.75 1.42 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.855 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m 46.92 33.4 2.21 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.9 -47.54 0.07 OUTLIER Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.325 -0.464 . . . . 25.0 112.78 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.45 -15.49 61.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -176.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.521 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.107 -0.952 . . . . 25.0 110.093 174.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -103.03 -28.49 11.96 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 123.452 1.596 . . . . 25.0 111.131 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.05 -22.23 61.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.801 -1.545 . . . . 25.0 113.774 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.91 133.5 51.03 Favored 'General case' 0 C--O 1.186 -2.246 0 C-N-CA 124.214 1.005 . . . . 25.0 110.465 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -116.89 -28.54 6.27 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -76.09 91.22 3.1 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.48 -35.28 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.858 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -38.83 79.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.496 -0.882 . . . . 25.0 110.288 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.35 -52.15 55.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.349 0.595 . . . . 25.0 109.4 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -67.11 -33.88 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.996 -0.547 . . . . 25.0 111.615 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.46 -46.75 81.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.382 0.61 . . . . 25.0 110.281 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.58 -28.47 61.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.874 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.4 t -82.78 -41.01 17.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 122.435 0.294 . . . . 25.0 111.309 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.2 mmt -66.31 -39.12 89.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.047 -1.033 . . . . 25.0 109.976 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -70.53 -28.02 64.61 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 119.543 -0.863 . . . . 25.0 110.473 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -67.78 -46.97 70.47 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.889 -1.893 . . . . 25.0 105.889 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -33.6 74.67 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 114.826 -1.079 . . . . 25.0 110.703 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -69.99 -35.69 74.6 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 113.289 0.848 . . . . 25.0 113.289 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.17 -34.79 32.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 122.13 0.967 . . . . 25.0 110.502 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -100.67 6.85 44.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.507 -1.224 . . . . 25.0 112.934 -172.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.35 -31.64 66.62 Favored Glycine 0 CA--C 1.509 -0.327 0 N-CA-C 114.585 0.594 . . . . 25.0 114.585 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 0.63 31.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.715 0.265 . . . . 25.0 111.715 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.3 -159.6 34.18 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.974 -1.25 . . . . 25.0 109.974 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.07 151.33 51.35 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.291 -0.455 . . . . 25.0 112.125 -173.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.63 174.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 108.998 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.5 -174.22 3.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.54 -44.04 84.88 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -61.18 -41.81 97.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.01 -29.23 69.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.883 0.373 . . . . 25.0 111.263 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -69.04 -40.62 78.48 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.924 -0.71 . . . . 25.0 109.487 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.732 HG12 HG13 ' A' ' 75' ' ' VAL . 86.6 t -61.16 -36.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.122 177.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.99 -39.11 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.55 0.691 . . . . 25.0 109.405 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.55 -35.74 80.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.921 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.0 -30.19 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.277 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -20.86 61.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.516 0.674 . . . . 25.0 109.184 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.57 -35.37 46.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.952 -0.567 . . . . 25.0 109.887 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -46.4 76.59 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.2 m -64.51 -36.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.79 63.39 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.32 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.59 -49.77 9.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -106.91 -34.48 7.2 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -82.63 -16.04 49.83 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 121.791 -0.568 . . . . 25.0 110.253 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.488 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 64.2 t80 -40.9 -19.32 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 118.864 2.913 . . . . 25.0 118.864 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.02 11.27 18.77 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.337 0.655 . . . . 25.0 111.341 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.488 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -53.53 -21.64 6.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.193 0.997 . . . . 25.0 113.62 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.78 103.29 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -79.13 155.88 28.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.108 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.413 -0.803 . . . . 25.0 110.266 179.383 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.334 0 N-CA-C 111.455 -0.658 . . . . 25.0 111.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -105.76 165.62 11.05 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 123.027 0.531 . . . . 25.0 110.536 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.03 -29.68 64.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -29.68 69.98 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -174.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.81 -23.64 36.38 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.481 -0.488 . . . . 25.0 111.976 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.455 -0.942 . . . . 25.0 108.455 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.529 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.89 -55.82 20.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.96 -1.018 . . . . 25.0 113.176 -178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG2' ' H ' ' A' ' 8' ' ' MET . 10.0 ptp -57.64 -25.76 60.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.23 -31.31 72.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.581 0.705 . . . . 25.0 110.984 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.9 p -77.06 -37.55 54.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.063 0.459 . . . . 25.0 111.171 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.76 -35.36 80.51 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 HG23 ' HD2' ' A' ' 16' ' ' HIS . 27.8 mt -60.59 -42.98 93.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 25.0 109.775 177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.93 -45.06 74.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.433 0.458 . . . . 25.0 111.495 -176.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -86.83 -31.08 5.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.964 0.728 . . . . 25.0 112.964 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.88 -56.68 7.16 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.519 1.152 . . . . 25.0 110.421 -175.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' HD2' HG23 ' A' ' 12' ' ' ILE . 54.3 m-70 -71.91 -16.63 62.12 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.804 -1.544 . . . . 25.0 111.969 -177.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.74 92.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.053 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -100.52 -7.43 24.15 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.427 ' HA ' HD13 ' A' ' 28' ' ' LEU . 65.1 m -64.35 153.73 37.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.546 0.688 . . . . 25.0 110.634 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.69 -18.89 40.01 Favored Glycine 0 C--O 1.224 -0.502 0 C-N-CA 120.813 -0.708 . . . . 25.0 112.294 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -65.01 -25.85 68.03 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.507 -0.408 . . . . 25.0 111.29 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.45 -25.89 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.396 0.617 . . . . 25.0 111.114 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.48 -25.96 5.29 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.375 -0.69 . . . . 25.0 111.375 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -120.77 154.56 35.51 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.203 0.525 . . . . 25.0 110.66 173.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -8.43 57.54 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -171.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.93 6.92 25.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -128.99 154.79 46.27 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 114.295 -1.32 . . . . 25.0 109.433 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' SER . 10.7 tp -158.35 141.81 15.18 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.9 p -72.67 149.15 44.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.148 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -54.17 -43.14 70.39 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.238 0.459 . . . . 25.0 112.238 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -56.4 -38.1 71.06 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.74 -39.25 76.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.364 0.602 . . . . 25.0 109.822 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.08 -37.6 88.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.949 -0.568 . . . . 25.0 110.399 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.91 -30.91 71.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.549 0.214 . . . . 25.0 110.489 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -82.76 -46.25 13.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.642 -0.254 . . . . 25.0 111.389 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.34 -31.45 71.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.782 -0.574 . . . . 25.0 110.735 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.84 -42.75 99.86 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 122.059 -0.401 . . . . 25.0 109.955 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.84 -22.8 36.8 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.671 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -32.51 66.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.528 -0.306 . . . . 25.0 110.49 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.89 -45.13 6.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.273 1.212 . . . . 25.0 114.273 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 -65.69 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -171.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m 42.68 35.64 0.72 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.62 -52.23 0.06 OUTLIER Glycine 0 C--O 1.223 -0.541 0 CA-C-O 122.044 0.802 . . . . 25.0 112.809 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -13.68 61.36 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -175.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.02 -24.04 67.38 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.192 -0.913 . . . . 25.0 108.952 176.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -94.19 -23.45 17.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.921 1.343 . . . . 25.0 109.061 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 -11.3 59.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.1 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.15 139.26 58.66 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.299 -0.25 . . . . 25.0 110.89 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -123.24 -30.61 3.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.292 -0.255 . . . . 25.0 111.273 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.26 87.83 4.94 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.8 -0.444 . . . . 25.0 109.8 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.84 -34.16 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.43 -30.93 70.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 25.0 111.144 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -56.36 4.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.132 0.491 . . . . 25.0 110.029 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.43 -32.81 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.95 -44.85 88.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.21 0.528 . . . . 25.0 110.084 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -32.45 72.29 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.853 -176.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.83 -44.19 32.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 116.175 -0.466 . . . . 25.0 109.806 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.623 -0.673 . . . . 25.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -23.55 56.72 Favored 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.003 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -42.94 62.04 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 105.904 -1.888 . . . . 25.0 105.904 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -29.43 70.76 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 114.56 -1.2 . . . . 25.0 110.598 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.17 -33.28 74.17 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.29 -0.881 . . . . 25.0 111.504 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -87.27 -30.9 20.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.786 0.803 . . . . 25.0 111.84 -178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -109.53 5.79 23.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.854 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -30.15 71.16 Favored Glycine 0 CA--C 1.505 -0.553 0 CA-C-N 115.919 -0.582 . . . . 25.0 113.562 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.91 -0.84 41.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.09 -163.88 39.82 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 109.876 -1.29 . . . . 25.0 109.876 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -127.78 147.81 50.42 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.911 -1.145 . . . . 25.0 112.071 -171.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -149.45 176.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -129.15 -174.12 3.18 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -56.42 -41.44 76.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.922 0.342 . . . . 25.0 111.922 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -61.62 -43.13 99.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.136 -0.32 . . . . 25.0 110.136 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -29.5 67.14 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.041 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -66.45 -40.81 89.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.458 -0.776 . . . . 25.0 109.295 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.07 -37.26 76.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.178 -0.464 . . . . 25.0 111.244 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.82 -37.35 73.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.35 -36.64 83.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.114 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -75.12 -30.96 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 119.501 -0.88 . . . . 25.0 108.689 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -71.08 -20.59 62.34 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.78 69.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.84 -37.98 58.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -45.16 82.21 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.333 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.4 m -69.99 -30.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.168 -1.013 . . . . 25.0 110.738 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.36 -24.78 60.37 Favored 'General case' 0 C--O 1.197 -1.662 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -86.85 -51.37 6.11 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -108.37 -49.41 3.19 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -169.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -63.18 -20.1 65.1 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 118.979 -0.534 . . . . 25.0 111.514 178.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 71.4 t80 -41.34 -18.32 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 118.677 2.843 . . . . 25.0 118.677 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -90.08 10.9 22.47 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 123.878 0.871 . . . . 25.0 111.187 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.498 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -53.92 -6.57 0.09 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 127.225 2.21 . . . . 25.0 115.815 -179.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -58.09 121.66 11.19 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.833 -1.543 . . . . 25.0 106.833 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -67.62 121.05 15.04 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.265 -0.88 . . . . 25.0 112.931 -162.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 114.257 -1.338 . . . . 25.0 113.064 -176.448 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.32 0 N-CA-C 111.859 -0.496 . . . . 25.0 111.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -73.85 148.96 41.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.245 0.545 . . . . 25.0 110.294 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -37.07 86.19 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.311 0.577 . . . . 25.0 109.661 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.16 -31.33 72.11 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -175.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -81.8 -22.66 37.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.099 -0.64 . . . . 25.0 111.228 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -73.15 -22.03 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.75 -54.39 44.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.901 -0.59 . . . . 25.0 112.456 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.6 -26.44 65.45 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.33 -35.99 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.447 0.641 . . . . 25.0 110.79 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.3 p -71.82 -38.87 70.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.145 0.498 . . . . 25.0 110.99 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.77 -36.7 84.29 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.71 -38.19 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -46.59 77.28 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.135 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -84.87 -29.04 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 112.739 0.644 . . . . 25.0 112.739 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.28 -57.0 5.89 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.271 1.034 . . . . 25.0 110.735 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -72.37 -15.07 61.86 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.98 -1.464 . . . . 25.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -117.91 7.42 12.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -67.97 158.99 31.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.622 0.725 . . . . 25.0 109.582 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.32 63.01 Favored Glycine 0 CA--C 1.505 -0.589 0 C-N-CA 120.501 -0.857 . . . . 25.0 111.811 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.73 -22.32 63.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.628 -0.337 . . . . 25.0 110.426 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.72 -27.44 50.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.447 0.641 . . . . 25.0 110.071 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.63 -28.52 4.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.588 -0.733 . . . . 25.0 111.295 -174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -116.06 149.57 38.71 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.496 1.141 . . . . 25.0 113.059 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -26.73 67.44 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 126.621 1.968 . . . . 25.0 115.441 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -114.55 17.71 17.15 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 122.475 1.131 . . . . 25.0 110.441 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -133.92 154.91 50.75 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.456 -1.702 . . . . 25.0 109.306 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' B' ' 32' ' ' GLU . 7.4 tp -156.33 142.68 18.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.1 p -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.752 0.31 . . . . 25.0 110.399 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -55.15 -44.44 75.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.497 -0.32 . . . . 25.0 111.524 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -58.75 -37.95 77.37 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' B' ' 28' ' ' LEU . 1.3 tp10 -69.06 -37.21 78.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.457 0.646 . . . . 25.0 110.528 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.79 -37.32 87.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.366 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.9 -35.7 79.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.77 -0.195 . . . . 25.0 110.82 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -79.31 -40.19 31.0 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.716 -0.394 . . . . 25.0 112.054 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.32 -31.69 69.11 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.417 -0.802 . . . . 25.0 109.731 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.59 -43.37 97.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.057 -0.402 . . . . 25.0 110.484 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.84 -22.69 45.75 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.994 -0.682 . . . . 25.0 111.016 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.48 -32.03 48.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 25.0 111.21 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -97.29 -45.32 6.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -66.93 0.8 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.51 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 45.46 32.76 1.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.17 -52.32 0.06 OUTLIER Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.795 0.664 . . . . 25.0 112.845 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -13.81 61.65 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.483 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.82 -23.56 67.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.313 -0.858 . . . . 25.0 109.405 175.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.93 -14.92 19.33 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.849 1.309 . . . . 25.0 109.24 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.69 -7.03 59.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.55 -1.205 . . . . 25.0 112.211 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.4 139.98 55.8 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.262 -0.274 . . . . 25.0 110.745 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -122.0 -31.85 3.82 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.237 -0.29 . . . . 25.0 110.872 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -78.05 93.8 4.55 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.815 -0.439 . . . . 25.0 109.815 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.07 -33.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.896 -0.593 . . . . 25.0 111.713 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.35 -38.49 78.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.562 -0.855 . . . . 25.0 110.316 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -54.42 38.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.557 0.694 . . . . 25.0 109.356 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.82 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.63 -0.713 . . . . 25.0 111.97 -174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.48 -45.04 80.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 25.0 110.406 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -71.5 -27.82 63.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.42 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -81.3 -42.99 20.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.29 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.66 -38.64 89.89 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.361 -0.837 . . . . 25.0 110.555 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -22.28 61.48 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.934 -0.706 . . . . 25.0 110.975 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.39 -47.51 27.16 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 105.187 -2.153 . . . . 25.0 105.187 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -29.38 70.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.967 -1.015 . . . . 25.0 111.923 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -35.88 73.48 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.613 -0.68 . . . . 25.0 111.923 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -85.52 -31.0 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.852 0.834 . . . . 25.0 111.892 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -104.43 6.52 35.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.577 -1.192 . . . . 25.0 112.85 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.52 71.79 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.03 -0.532 . . . . 25.0 114.409 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.04 4.41 30.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.129 0.465 . . . . 25.0 111.636 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.01 -162.62 37.85 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 109.305 -1.518 . . . . 25.0 109.305 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.83 146.03 51.47 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.72 -0.74 . . . . 25.0 112.947 -172.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.29 176.84 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.779 -0.646 . . . . 25.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.67 -174.18 3.23 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.51 0.324 . . . . 25.0 110.434 -174.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.23 -38.67 71.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.422 ' HB2' HG11 ' A' ' 83' ' ' VAL . 18.9 tt0 -67.48 -39.78 85.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.072 0.463 . . . . 25.0 109.885 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.26 -29.81 66.68 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.129 -0.629 . . . . 25.0 110.142 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -69.94 -44.32 69.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.183 -0.948 . . . . 25.0 110.482 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -63.14 -31.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 122.026 -0.421 . . . . 25.0 111.95 -177.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.31 -28.66 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 121.364 -0.835 . . . . 25.0 109.73 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.37 -27.93 68.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.35 -0.387 . . . . 25.0 110.16 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.26 -32.6 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 118.994 -1.082 . . . . 25.0 109.857 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.95 -20.66 63.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.99 -0.444 . . . . 25.0 111.585 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 -32.46 71.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.42 0.629 . . . . 25.0 109.743 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 36.1 mt -74.88 -35.05 62.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.382 -0.599 . . . . 25.0 109.382 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.54 77.99 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 112.211 0.449 . . . . 25.0 112.211 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.8 m -68.4 -33.55 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.108 -1.037 . . . . 25.0 110.279 -177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.39 65.28 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 121.948 -0.47 . . . . 25.0 109.749 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -81.53 -43.29 18.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.072 1.138 . . . . 25.0 114.072 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -114.38 -41.94 3.39 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -68.14 -20.58 64.91 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 119.151 -0.452 . . . . 25.0 111.91 -177.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.566 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.4 p90 -47.17 -15.64 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 117.052 2.241 . . . . 25.0 117.052 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.17 10.87 3.19 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.845 -0.534 . . . . 25.0 111.623 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.566 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.08 -16.08 49.62 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.346 0.658 . . . . 25.0 111.801 174.147 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -123.11 127.62 48.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 25.0 110.653 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -99.56 157.36 16.51 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.254 1.307 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 175.086 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.102 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -106.26 164.8 11.72 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.039 -1.097 . . . . 25.0 108.039 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.54 -24.91 67.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.953 0.406 . . . . 25.0 110.181 172.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -31.27 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -80.02 -23.82 41.2 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.312 0.577 . . . . 25.0 112.536 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.09 -20.76 59.33 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 122.275 1.036 . . . . 25.0 108.574 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.63 -56.36 17.92 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.266 1.209 . . . . 25.0 114.266 -176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -33.91 63.12 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.268 0.627 . . . . 25.0 112.223 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.564 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 60.5 p -72.66 -38.12 67.73 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.883 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -67.02 -36.86 83.05 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 108.48 -0.934 . . . . 25.0 108.48 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.2 mt -62.73 -39.12 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -46.58 77.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.403 0.149 . . . . 25.0 111.403 -178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -83.29 -31.8 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 121.212 0.529 . . . . 25.0 112.215 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -69.14 -56.72 6.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.393 1.092 . . . . 25.0 111.162 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.83 -16.13 62.7 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 113.635 -1.62 . . . . 25.0 110.924 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.55 72.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -106.68 -1.96 22.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.459 ' HA ' HD13 ' A' ' 28' ' ' LEU . 93.5 p -66.76 161.44 23.61 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.31 0.856 . . . . 25.0 113.31 -174.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.65 62.78 Favored Glycine 0 N--CA 1.462 0.37 0 C-N-CA 120.978 -0.63 . . . . 25.0 113.823 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -68.8 -29.14 67.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.275 0.56 . . . . 25.0 111.408 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.91 0.13 27.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.972 -1.013 . . . . 25.0 110.906 -173.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.61 -25.99 5.24 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 118.194 2.037 . . . . 25.0 118.194 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -128.94 152.74 48.23 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.99 -28.51 68.32 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 113.955 -1.475 . . . . 25.0 114.455 -171.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -110.12 13.89 23.06 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.455 1.121 . . . . 25.0 110.368 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.35 162.91 29.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.787 -1.551 . . . . 25.0 107.814 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 19' ' ' SER . 2.8 tp -158.88 154.06 25.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.441 ' H ' HD12 ' A' ' 28' ' ' LEU . 81.5 p -79.32 149.67 31.68 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.09 -40.47 81.22 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.013 -0.43 . . . . 25.0 111.887 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -58.67 -38.45 78.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.93 -40.13 79.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.31 -40.58 96.78 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.846 -0.615 . . . . 25.0 110.79 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.12 -38.39 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.011 0.434 . . . . 25.0 110.067 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.64 -44.83 40.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.114 -0.494 . . . . 25.0 112.166 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.72 -31.31 70.29 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.198 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.47 -41.98 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.884 -0.51 . . . . 25.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -82.06 -22.26 36.47 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.914 -0.714 . . . . 25.0 110.376 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.51 56.49 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.649 -0.25 . . . . 25.0 110.915 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.66 -45.01 8.27 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.05 -63.33 1.32 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.365 -174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.8 t 46.09 29.81 0.85 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.199 1.555 . . . . 25.0 115.199 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.8 -55.19 0.09 OUTLIER Glycine 0 C--N 1.333 0.392 0 CA-C-O 121.555 0.531 . . . . 25.0 113.245 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -174.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -24.68 67.26 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.705 -1.134 . . . . 25.0 110.262 177.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -100.13 -19.81 16.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.546 1.165 . . . . 25.0 109.018 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.66 -13.51 61.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 25.0 110.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -63.47 138.98 58.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.455 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -123.52 -24.7 4.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.892 0.477 . . . . 25.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -73.54 100.94 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 25.0 111.909 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.06 -33.94 63.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 123.357 0.663 . . . . 25.0 112.195 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.95 -39.72 75.89 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.321 -0.951 . . . . 25.0 110.391 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.43 -50.0 64.85 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.724 -0.473 . . . . 25.0 109.724 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.66 -35.61 75.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.544 -0.463 . . . . 25.0 110.147 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -66.41 -43.35 85.97 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.238 -0.585 . . . . 25.0 111.289 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -78.23 -34.85 49.02 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.23 -39.33 28.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.764 -0.198 . . . . 25.0 110.796 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.14 -36.45 77.47 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 118.612 -1.235 . . . . 25.0 110.52 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -26.57 61.25 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.901 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -48.51 62.78 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.727 -1.582 . . . . 25.0 106.727 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -32.43 73.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.641 -0.709 . . . . 25.0 111.097 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.35 -38.18 87.03 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.002 -0.436 . . . . 25.0 111.616 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.15 -29.12 25.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.154 0.502 . . . . 25.0 111.249 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.43 5.38 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -171.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.08 -32.67 67.39 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 114.474 0.55 . . . . 25.0 114.474 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -80.84 -2.96 49.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.46 -169.61 46.09 Favored Glycine 0 N--CA 1.434 -1.482 0 N-CA-C 109.311 -1.516 . . . . 25.0 109.311 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.81 145.28 50.29 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 113.396 -1.402 . . . . 25.0 112.007 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.5 m -145.9 -179.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.439 -0.8 . . . . 25.0 109.517 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.23 -174.08 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.24 -0.281 . . . . 25.0 110.24 -174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -57.23 -40.98 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' O ' HG12 ' A' ' 75' ' ' VAL . 22.1 tt0 -63.9 -40.23 96.02 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.289 -0.634 . . . . 25.0 109.289 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.7 -36.18 78.13 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.864 176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -64.02 -41.23 97.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.782 -0.574 . . . . 25.0 110.638 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -63.51 -25.94 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' B' ' 76' ' ' VAL . 43.1 t -73.85 -41.22 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.75 -34.9 78.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 25.0 111.47 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -78.59 -33.68 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 119.693 -0.803 . . . . 25.0 109.927 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -20.55 61.24 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.948 -0.47 . . . . 25.0 111.388 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.52 0.676 . . . . 25.0 109.325 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -69.77 -37.41 76.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.79 -45.48 74.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.751 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.51 -32.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.783 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.2 -27.51 64.55 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 120.156 -0.618 . . . . 25.0 109.72 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.42 -53.21 6.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.929 0.715 . . . . 25.0 112.929 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -101.44 -38.23 8.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.089 1.514 . . . . 25.0 115.089 -169.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -19.52 62.34 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -40.95 -25.39 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 116.877 2.177 . . . . 25.0 116.877 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -78.06 11.22 2.38 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -16.72 49.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.695 0.798 . . . . 25.0 110.501 171.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.82 160.92 31.39 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.645 -0.707 . . . . 25.0 109.251 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.31 124.18 22.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.233 -1.765 . . . . 25.0 106.233 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.413 -172.237 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.3 0 N-CA-C 111.718 -0.553 . . . . 25.0 111.718 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -72.42 145.12 47.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 25.0 109.84 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -63.64 -37.63 88.05 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -28.13 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.0 -22.44 39.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 119.321 -0.951 . . . . 25.0 111.697 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 m -69.84 -22.36 63.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.564 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.22 -58.72 6.09 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.76 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 118.122 0.419 . . . . 25.0 111.843 -178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.28 -35.53 71.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.132 0.492 . . . . 25.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 49.3 p -72.16 -40.25 68.12 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 25.0 110.931 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -37.93 87.52 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -61.8 -41.01 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -46.46 72.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -177.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.27 -30.78 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.07 -54.47 25.34 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 122.755 1.264 . . . . 25.0 110.34 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -68.41 -28.9 67.49 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 113.245 -1.798 . . . . 25.0 110.363 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.37 78.38 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 120.506 -0.477 . . . . 25.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -101.87 -1.11 32.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.463 ' HA ' HD13 ' B' ' 28' ' ' LEU . 79.3 p -67.1 166.03 14.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.87 -10.73 64.31 Favored Glycine 0 C--O 1.222 -0.643 0 C-N-CA 120.745 -0.74 . . . . 25.0 112.848 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -61.12 -35.19 76.37 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-O 121.73 0.776 . . . . 25.0 110.842 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -75.53 -25.79 57.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.425 -1.261 . . . . 25.0 112.064 -176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -24.86 5.45 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -126.57 159.57 33.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.12 -8.08 43.63 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.455 1.28 . . . . 25.0 114.455 -174.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -100.64 -7.14 24.22 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -115.57 155.73 27.06 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.391 -1.731 . . . . 25.0 106.984 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 19' ' ' SER . 11.9 tp -159.66 148.62 17.83 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 105.676 -1.972 . . . . 25.0 105.676 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 81.0 p -73.89 151.73 40.37 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.568 -0.453 . . . . 25.0 110.253 -176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -57.94 -44.6 87.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 122.378 -0.201 . . . . 25.0 110.983 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -55.39 -40.42 71.36 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.54 -39.21 91.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.619 0.723 . . . . 25.0 110.144 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.74 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.814 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -67.11 -32.87 74.31 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.923 -0.311 . . . . 25.0 110.287 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -75.79 -46.66 29.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.463 0.171 . . . . 25.0 111.463 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.69 -31.73 71.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.671 -0.643 . . . . 25.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.15 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.812 -0.555 . . . . 25.0 110.701 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.08 -22.45 42.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.799 -174.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -34.25 40.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.664 0.268 . . . . 25.0 111.089 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -94.56 -45.1 7.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.327 -176.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t 44.38 39.05 2.84 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.82 -46.19 0.06 OUTLIER Glycine 0 C--O 1.222 -0.633 0 CA-C-O 121.507 0.504 . . . . 25.0 112.78 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -16.0 62.79 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.836 -0.803 . . . . 25.0 112.909 -177.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -65.46 -23.42 66.91 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.433 -0.803 . . . . 25.0 109.82 176.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.36 -13.6 23.12 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 123.251 1.5 . . . . 25.0 108.85 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.99 -5.49 56.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.203 -1.362 . . . . 25.0 112.077 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.403 ' HB3' HG11 ' B' ' 54' ' ' VAL . 27.8 mt-30 -72.84 123.84 24.19 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.177 -0.327 . . . . 25.0 110.309 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -110.64 -24.34 10.57 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 122.492 -0.13 . . . . 25.0 110.909 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -85.66 85.85 7.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.85 -33.44 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.907 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.93 -44.36 96.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.356 0.598 . . . . 25.0 110.6 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.81 24.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.997 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' B' ' 48' ' ' GLN . 27.9 m -67.98 -24.79 30.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -173.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.44 -45.17 63.33 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -68.72 -30.44 69.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.317 -1.31 . . . . 25.0 112.126 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -81.8 -42.15 19.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.917 -0.583 . . . . 25.0 110.702 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.34 -36.03 80.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 120.889 -1.132 . . . . 25.0 110.672 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -76.47 -19.91 57.54 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.565 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -73.45 -48.77 30.96 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -32.87 73.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.501 -1.227 . . . . 25.0 111.155 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -39.13 90.26 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.506 -0.746 . . . . 25.0 112.756 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -84.86 -29.38 25.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.693 0.759 . . . . 25.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -99.92 6.06 45.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.264 -0.88 . . . . 25.0 111.687 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.24 63.97 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.324 -0.398 . . . . 25.0 113.901 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.13 0.29 32.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.87 -167.69 34.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.596 -1.802 . . . . 25.0 108.596 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.14 153.69 49.12 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -170.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -146.7 179.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.641 -1.163 . . . . 25.0 107.991 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.7 -174.9 3.25 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.29 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.786 0.662 . . . . 25.0 112.786 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -63.76 -40.74 97.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.47 -30.43 70.14 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 122.26 -0.275 . . . . 25.0 110.601 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -67.93 -41.33 82.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.828 -0.804 . . . . 25.0 108.828 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 75' ' ' VAL . 53.0 t -60.91 -37.32 76.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.542 177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 76' ' ' VAL . 86.7 t -68.37 -39.63 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -64.72 -36.53 84.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.99 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.83 -30.12 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.649 -0.82 . . . . 25.0 109.49 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.443 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.89 -20.67 61.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.952 -0.467 . . . . 25.0 111.948 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.2 71.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 173.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.38 -35.54 61.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.8 m -66.8 -44.0 82.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.0 m -68.2 -33.15 59.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.077 -1.049 . . . . 25.0 110.227 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.82 63.84 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 122.053 -0.404 . . . . 25.0 110.285 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.1 t -86.32 -43.18 13.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.346 1.239 . . . . 25.0 114.346 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -115.81 -34.6 4.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -73.21 -16.04 61.43 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 122.213 -0.305 . . . . 25.0 111.307 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.486 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 5.9 p90 -50.34 -15.71 0.27 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 116.375 1.991 . . . . 25.0 116.375 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -79.32 10.85 3.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.996 0.518 . . . . 25.0 111.757 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.486 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -59.76 -20.69 58.23 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.987 0.423 . . . . 25.0 110.794 174.257 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.06 103.37 12.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 102.202 -3.259 . . . . 25.0 102.202 168.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -55.32 126.09 23.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 -164.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.256 1.426 0 N-CA-C 105.343 -2.095 . . . . 25.0 105.343 179.263 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.416 0 N-CA-C 111.313 -0.715 . . . . 25.0 111.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -72.8 170.99 13.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.276 0.56 . . . . 25.0 109.559 174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.14 -40.17 74.95 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.159 0.504 . . . . 25.0 109.806 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -34.48 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.21 -27.76 59.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.548 -0.72 . . . . 25.0 110.395 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.0 m -77.12 -22.18 53.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.88 -52.04 61.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 ptp -61.06 -26.39 67.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.75 -33.48 76.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.319 0.58 . . . . 25.0 110.586 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.5 p -73.99 -37.94 64.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.306 0.574 . . . . 25.0 111.353 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.15 -37.52 87.65 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.24 -39.19 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -47.21 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.968 0.168 . . . . 25.0 111.264 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.4 -30.45 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -67.04 -59.57 3.36 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.211 1.005 . . . . 25.0 109.9 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.47 -17.56 64.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.273 -1.33 . . . . 25.0 110.658 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.64 87.12 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.237 -0.585 . . . . 25.0 109.53 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.57 -15.3 22.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' HD13 ' A' ' 28' ' ' LEU . 72.2 m -61.8 159.21 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -176.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.53 -7.71 56.17 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.077 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -63.82 -36.04 82.59 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.399 0.619 . . . . 25.0 109.952 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.43 -28.18 61.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.609 -1.178 . . . . 25.0 111.999 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.54 -30.83 4.14 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.0 149.0 32.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.226 -1.398 . . . . 25.0 107.226 171.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -93.24 -8.13 43.15 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -93.34 -1.08 56.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.623 1.201 . . . . 25.0 107.763 176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -126.92 156.8 40.91 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 113.357 -1.747 . . . . 25.0 108.719 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' ' 19' ' ' SER . 9.2 tp -153.51 148.28 26.41 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.5 p -73.49 151.91 40.88 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.689 -0.404 . . . . 25.0 110.547 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -58.69 -43.44 90.01 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 122.386 -0.196 . . . . 25.0 110.949 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -56.41 -39.52 73.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.44 -39.92 85.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.309 0.576 . . . . 25.0 110.047 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.61 -39.05 92.53 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.278 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -63.62 -33.17 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.167 -0.213 . . . . 25.0 110.729 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -79.15 -46.84 17.16 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.48 0.178 . . . . 25.0 111.48 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.56 -30.04 68.73 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 121.816 -0.553 . . . . 25.0 110.606 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -45.62 89.27 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 121.774 -0.579 . . . . 25.0 110.159 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -78.12 -22.42 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.758 -0.588 . . . . 25.0 110.804 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -29.91 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.716 -0.22 . . . . 25.0 111.096 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -104.24 -45.24 4.75 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.389 1.626 . . . . 25.0 115.389 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -69.02 -57.66 5.14 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.796 -0.184 . . . . 25.0 111.058 -172.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m 42.29 26.3 0.06 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.78 -57.72 0.09 OUTLIER Glycine 0 C--N 1.334 0.461 0 CA-C-O 122.915 1.286 . . . . 25.0 112.597 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.6 m-85 -75.4 -12.12 60.19 Favored 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 114.591 1.33 . . . . 25.0 114.591 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.45 -24.9 67.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.196 175.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -91.84 -28.46 17.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 122.877 1.323 . . . . 25.0 108.235 178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.84 -8.94 57.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.502 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.424 HE21 HD22 ' A' ' 81' ' ' LEU . 23.4 mt-30 -63.12 137.69 58.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -123.35 -27.08 4.16 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.12 -0.363 . . . . 25.0 110.908 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -78.69 92.82 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 25.0 110.131 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.66 -33.38 62.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.556 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.57 -38.34 80.65 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.66 -0.816 . . . . 25.0 110.679 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.15 40.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.471 0.653 . . . . 25.0 109.453 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -66.77 -32.27 57.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.763 -0.653 . . . . 25.0 111.843 -174.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.79 -45.85 80.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.037 0.446 . . . . 25.0 110.229 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -70.92 -29.72 65.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.481 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.86 -43.27 24.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.32 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.5 mmt -65.98 -41.33 91.29 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.396 -0.815 . . . . 25.0 110.43 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -70.31 -20.96 62.98 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.081 -0.648 . . . . 25.0 111.538 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -46.49 38.95 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.029 -2.211 . . . . 25.0 105.029 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -26.73 68.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.546 -1.206 . . . . 25.0 111.261 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.3 -38.38 81.58 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.127 -0.358 . . . . 25.0 111.35 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -86.78 -29.37 22.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.838 0.828 . . . . 25.0 111.998 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -107.93 7.63 28.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.839 -1.073 . . . . 25.0 113.278 -169.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.3 65.23 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 116.508 -0.315 . . . . 25.0 113.875 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.1 4.96 27.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.936 0.347 . . . . 25.0 111.936 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.74 -172.38 34.64 Favored Glycine 0 N--CA 1.434 -1.434 0 N-CA-C 107.445 -2.262 . . . . 25.0 107.445 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -128.5 150.5 50.14 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.921 -1.14 . . . . 25.0 113.691 -170.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -145.54 178.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.699 -1.137 . . . . 25.0 109.586 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.75 -174.14 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.449 0.299 . . . . 25.0 110.305 -174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.49 -38.78 75.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -68.22 -39.18 82.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.106 0.479 . . . . 25.0 109.774 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -31.87 71.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 25.0 110.287 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -69.12 -46.21 68.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.112 -0.993 . . . . 25.0 110.77 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 75' ' ' VAL . 0.9 OUTLIER -61.78 -32.11 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 122.057 -0.402 . . . . 25.0 111.793 -177.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.09 -27.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.461 -0.774 . . . . 25.0 110.38 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.58 -30.23 70.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.64 -34.76 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 109.525 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.71 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.139 0.495 . . . . 25.0 110.123 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD22 HE21 ' A' ' 48' ' ' GLN . 36.5 mt -72.82 -36.36 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -47.74 73.07 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.868 -0.605 . . . . 25.0 111.321 -177.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.77 -30.77 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.937 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.09 68.21 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -89.69 -53.73 4.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.401 1.096 . . . . 25.0 112.218 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.62 -50.18 9.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.006 -1.452 . . . . 25.0 114.585 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -17.55 61.43 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 122.522 0.329 . . . . 25.0 111.872 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 74.7 t80 -40.84 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.369 2.729 . . . . 25.0 118.369 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.24 9.61 4.44 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.377 -0.827 . . . . 25.0 112.323 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -60.4 -18.03 47.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.563 0.745 . . . . 25.0 112.348 172.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.94 122.94 23.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.347 0.594 . . . . 25.0 110.656 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.55 114.57 26.56 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.314 -0.948 0 CA-C-N 114.8 -1.091 . . . . 25.0 113.649 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.311 0 N-CA-C 111.126 -0.79 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -82.05 144.23 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.956 0.408 . . . . 25.0 109.906 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.71 -40.1 95.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.83 71.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 25.0 112.008 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.29 -32.8 29.37 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.547 -0.72 . . . . 25.0 111.024 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -69.23 -21.89 63.9 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.35 -52.18 62.42 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.177 -0.919 . . . . 25.0 112.616 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.2 ptp -62.85 -24.57 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.87 -32.35 73.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.242 0.544 . . . . 25.0 110.297 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 43.4 p -72.96 -37.25 67.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.851 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.25 -36.25 82.54 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.61 -39.68 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.01 72.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.012 0.195 . . . . 25.0 111.423 -177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.58 -29.58 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -68.22 -58.15 4.89 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.816 0.817 . . . . 25.0 110.737 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -18.52 65.4 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.753 -1.112 . . . . 25.0 110.17 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.95 89.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.396 -0.522 . . . . 25.0 110.399 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.11 -12.29 18.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.403 ' HA ' HD13 ' B' ' 28' ' ' LEU . 74.6 m -65.21 156.47 31.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.576 0.703 . . . . 25.0 111.954 -177.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.01 -21.5 39.9 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -60.5 -30.0 69.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -109.67 41.71 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 124.885 2.279 . . . . 25.0 114.901 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.51 -31.04 7.1 Favored Glycine 0 C--N 1.289 -2.065 0 CA-C-N 112.534 -2.121 . . . . 25.0 115.656 167.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -136.44 155.0 50.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 173.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -85.28 -8.71 58.38 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -173.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -97.68 2.45 49.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.185 0.993 . . . . 25.0 108.774 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -127.1 155.93 42.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.193 -1.367 . . . . 25.0 109.849 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 19' ' ' SER . 12.1 tp -157.24 152.97 26.79 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.494 -0.482 . . . . 25.0 111.449 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.3 -40.52 78.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 25.0 111.495 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -54.87 -41.5 70.9 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.9 -37.86 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.421 0.629 . . . . 25.0 110.311 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.17 -37.71 88.29 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.953 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -64.31 -32.17 73.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.271 -0.268 . . . . 25.0 110.619 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.65 -46.47 19.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.77 -28.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.589 -0.694 . . . . 25.0 111.025 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.03 -44.53 92.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.782 -0.574 . . . . 25.0 109.587 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.66 -22.45 46.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.874 -0.73 . . . . 25.0 111.141 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.81 -25.03 58.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.741 -0.384 . . . . 25.0 111.419 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.92 -45.02 3.69 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' B' ' 44' ' ' PHE . 1.2 tt -73.61 -64.94 0.89 Allowed 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 120.437 -0.505 . . . . 25.0 112.301 -172.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.9 m 34.91 35.85 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.73 -58.04 0.09 OUTLIER Glycine 0 C--N 1.335 0.479 0 CA-C-O 122.407 1.004 . . . . 25.0 113.018 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.414 ' HB2' HD21 ' B' ' 41' ' ' LEU . 37.5 m-85 -70.77 -23.73 62.46 Favored 'General case' 0 CA--C 1.483 -1.613 0 N-CA-C 113.808 1.04 . . . . 25.0 113.808 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -58.07 -27.46 63.66 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.878 -1.056 . . . . 25.0 111.351 176.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.29 -20.2 23.2 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 123.327 1.537 . . . . 25.0 108.737 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.34 -1.85 58.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.693 -1.594 . . . . 25.0 111.509 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.57 142.44 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -120.73 -29.74 4.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -77.33 92.78 3.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 25.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -34.49 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.354 . . . . 25.0 111.931 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -69.71 -38.52 76.97 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.263 -0.975 . . . . 25.0 110.08 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.24 -51.83 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.238 -0.653 . . . . 25.0 109.238 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.56 -34.81 72.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.045 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.02 -46.87 76.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.11 0.481 . . . . 25.0 110.419 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -73.45 -28.15 61.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.394 . . . . 25.0 111.949 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.71 -41.22 21.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 110.304 -0.258 . . . . 25.0 110.304 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 35.3 mmt -63.93 -42.35 97.39 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.304 -0.872 . . . . 25.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -73.05 -20.92 60.88 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 120.345 -0.542 . . . . 25.0 112.038 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -72.26 -47.93 46.43 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.308 -2.108 . . . . 25.0 105.308 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -35.42 78.48 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.53 -1.213 . . . . 25.0 111.067 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.02 -31.89 73.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -88.08 -30.4 19.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.755 0.788 . . . . 25.0 112.057 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -104.33 7.48 35.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.118 -0.946 . . . . 25.0 113.405 -171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.26 -32.53 72.25 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -84.29 3.77 34.02 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 111.815 0.302 . . . . 25.0 111.815 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.09 -174.77 43.84 Favored Glycine 0 N--CA 1.43 -1.757 0 N-CA-C 106.983 -2.447 . . . . 25.0 106.983 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -124.79 144.93 50.0 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 113.33 -1.435 . . . . 25.0 112.35 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.33 -179.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.911 . . . . 25.0 108.686 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -131.41 -174.17 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -56.93 -41.13 77.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.77 -41.77 97.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.73 -32.12 72.52 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.399 -0.521 . . . . 25.0 110.65 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.15 -42.14 84.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.629 0.728 . . . . 25.0 109.327 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 75' ' ' VAL . 22.6 t -58.44 -39.67 75.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.097 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.31 -35.88 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -37.63 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 25.0 111.897 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -75.85 -30.51 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 119.55 -0.86 . . . . 25.0 109.122 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.44 -20.76 61.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.66 72.3 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.4 mt -72.46 -35.91 68.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -67.65 -44.42 77.93 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.952 -0.567 . . . . 25.0 112.03 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.78 -33.74 63.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 119.677 -0.809 . . . . 25.0 109.633 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.96 -27.79 66.05 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 122.067 -0.396 . . . . 25.0 110.329 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.85 -40.17 15.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -109.38 -46.34 3.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -19.68 65.84 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 122.925 0.49 . . . . 25.0 112.311 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.542 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 2.9 p90 -47.23 -15.93 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 117.43 2.382 . . . . 25.0 117.43 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.77 9.56 3.4 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.015 -0.428 . . . . 25.0 111.898 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.542 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.39 -13.62 31.45 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.261 0.624 . . . . 25.0 112.013 174.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -116.48 160.67 20.25 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.272 0.629 . . . . 25.0 109.81 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -94.59 143.58 26.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.862 0.363 . . . . 25.0 110.729 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.252 1.202 0 CA-C-O 115.902 -1.999 . . . . 25.0 106.305 177.782 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.641 -0.584 . . . . 25.0 111.641 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.3 t -105.72 158.28 16.83 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 122.905 0.482 . . . . 25.0 110.547 -178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -28.0 69.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 170.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.94 -29.46 69.64 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.151 0.796 . . . . 25.0 113.151 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -81.63 -22.45 37.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.563 0.697 . . . . 25.0 112.342 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -21.91 58.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.852 0.835 . . . . 25.0 109.229 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.544 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.03 -57.63 8.14 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.2 63.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.2 -33.58 72.43 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.966 0.507 . . . . 25.0 111.933 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 50.8 p -74.67 -38.13 62.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.199 0.523 . . . . 25.0 111.081 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -37.15 85.56 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 175.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG23 ' HD2' ' A' ' 16' ' ' HIS . 42.3 mt -61.38 -40.99 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.44 -46.71 73.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.457 0.169 . . . . 25.0 111.457 -177.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' ND2' ' A' ' 13' ' ' ASN . 32.6 m -84.98 -29.64 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.4 -56.21 9.27 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.536 1.16 . . . . 25.0 111.298 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.404 ' HD2' HG23 ' A' ' 12' ' ' ILE . 5.4 m-70 -70.83 -17.14 62.76 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.034 -1.439 . . . . 25.0 111.02 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.87 76.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 176.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -107.44 -5.09 17.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.0 m -60.98 158.99 12.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.898 0.772 . . . . 25.0 112.581 -176.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.75 0.34 45.81 Favored Glycine 0 C--O 1.223 -0.566 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.774 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -74.27 -29.34 61.62 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.329 -0.513 . . . . 25.0 111.953 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.92 35.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 176.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.7 -30.98 4.07 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-O 118.956 -0.913 . . . . 25.0 114.782 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -97.29 157.6 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.942 1.371 . . . . 25.0 112.134 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE2' ' CE2' ' A' ' 26' ' ' TYR . 29.3 mtmm -68.42 -26.18 65.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 126.267 1.827 . . . . 25.0 113.572 -173.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 30.2 m-85 -109.5 9.62 25.33 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 122.194 0.997 . . . . 25.0 110.582 -174.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -124.42 152.5 43.17 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.929 -1.487 . . . . 25.0 111.177 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 29' ' ' SER . 2.0 tp -146.46 169.49 18.8 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 62.0 p -97.99 157.03 16.35 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 176.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -58.24 -49.07 78.4 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.141 -0.223 . . . . 25.0 111.385 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -54.47 -36.72 64.43 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.544 1.312 . . . . 25.0 114.544 -176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.26 -39.03 89.18 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.642 -0.423 . . . . 25.0 111.016 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 HG21 ' A' ' 69' ' ' VAL . 73.3 mt -64.01 -39.84 95.01 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 120.917 0.389 . . . . 25.0 111.496 -176.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -59.49 -38.06 79.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.78 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -46.5 13.21 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -175.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.06 -36.36 83.74 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.522 -0.471 . . . . 25.0 109.958 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 7.0 tt -65.01 -46.15 82.59 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.792 -0.567 . . . . 25.0 110.601 -177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -73.85 -24.55 59.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.455 -0.898 . . . . 25.0 109.854 -171.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -28.57 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.049 0.218 . . . . 25.0 110.844 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.79 -37.07 12.53 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -64.42 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.611 -0.722 . . . . 25.0 112.777 -172.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.6 m 44.99 29.52 0.48 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.319 1.6 . . . . 25.0 115.319 -174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.37 -56.05 0.08 OUTLIER Glycine 0 C--O 1.226 -0.361 0 CA-C-O 122.076 0.82 . . . . 25.0 113.44 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -21.32 64.69 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -175.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.36 -26.58 66.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.638 177.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.43 -27.52 18.25 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.814 1.292 . . . . 25.0 108.905 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.47 -15.18 62.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.286 -1.324 . . . . 25.0 112.449 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -63.56 141.37 58.79 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 122.607 0.363 . . . . 25.0 111.508 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -126.87 -25.92 3.26 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -74.61 93.47 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 25.0 110.316 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.3 -34.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.626 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.68 -38.03 83.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.156 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.8 -52.35 21.1 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.684 -0.689 . . . . 25.0 110.776 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.73 -34.44 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.772 0.32 . . . . 25.0 110.911 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.78 -46.52 84.87 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 110.155 -0.313 . . . . 25.0 110.155 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -36.42 64.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -174.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.62 -42.16 62.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.83 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -66.72 -42.73 85.86 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.004 -1.079 . . . . 25.0 110.723 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -70.61 -26.4 63.48 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.906 -0.718 . . . . 25.0 111.819 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.65 -49.01 62.47 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -34.65 78.86 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.088 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -66.71 -37.77 85.36 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -81.41 -32.42 32.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.692 0.758 . . . . 25.0 110.094 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -104.43 10.18 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -171.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.45 -32.49 57.91 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 115.825 1.09 . . . . 25.0 115.825 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -81.08 3.57 22.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.25 0.525 . . . . 25.0 111.442 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.23 -163.54 36.07 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 108.375 -1.89 . . . . 25.0 108.375 173.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.4 pt-20 -133.95 160.7 36.89 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.914 -0.643 . . . . 25.0 112.623 -171.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG21 HD11 ' A' ' 33' ' ' LEU . 17.7 m -147.96 166.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.719 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.69 -174.13 2.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.78 -38.94 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 75' ' ' VAL . 19.0 tt0 -66.91 -38.29 85.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -37.04 86.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.257 0.551 . . . . 25.0 110.362 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -67.04 -43.07 83.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.099 -0.376 . . . . 25.0 110.586 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -62.51 -29.95 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.495 -179.129 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.61 -40.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.34 -35.16 79.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.906 -0.588 . . . . 25.0 112.041 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -75.46 -34.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 119.34 -0.944 . . . . 25.0 108.688 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.18 -20.8 63.1 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.911 -0.493 . . . . 25.0 111.624 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -33.93 71.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -72.2 -38.33 69.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -66.41 -47.11 74.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.726 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -67.53 -34.07 66.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.711 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.01 65.49 Favored 'General case' 0 C--O 1.204 -1.305 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.36 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.9 -54.44 5.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.3 -51.34 4.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.326 -0.852 . . . . 25.0 112.92 -168.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -71.66 -16.21 62.25 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.892 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 77.1 t80 -40.66 -23.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 118.314 2.709 . . . . 25.0 118.314 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.15 12.32 6.68 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.36 0.664 . . . . 25.0 112.383 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.482 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -56.13 -20.26 16.81 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.475 1.11 . . . . 25.0 113.116 175.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.77 163.95 26.18 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.823 -0.806 . . . . 25.0 108.823 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.79 77.84 9.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 124.494 2.092 . . . . 25.0 106.038 168.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 109.402 -3.544 . . . . 25.0 108.975 -175.469 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.216 0 N-CA-C 108.857 -1.697 . . . . 25.0 108.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -63.06 144.19 57.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.555 -1.646 . . . . 25.0 106.555 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.31 -43.54 92.63 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.788 -0.57 . . . . 25.0 110.649 -176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.63 -26.98 67.34 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -28.92 31.85 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.894 -0.504 . . . . 25.0 111.899 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -72.32 -20.74 61.44 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.26 -54.62 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -30.39 69.3 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.093 0.405 . . . . 25.0 112.093 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.91 70.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.042 0.448 . . . . 25.0 111.108 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.4 p -74.58 -39.68 62.1 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.896 -0.503 . . . . 25.0 110.765 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -36.87 84.26 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.45 -41.29 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -44.85 77.15 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.391 0.432 . . . . 25.0 111.305 -176.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -86.26 -29.84 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.15 -58.7 4.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 122.402 1.096 . . . . 25.0 110.568 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -71.83 -15.7 62.14 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.992 -1.458 . . . . 25.0 111.841 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.4 71.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.384 -0.526 . . . . 25.0 109.851 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -121.1 9.06 10.44 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.49 1.293 . . . . 25.0 114.49 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.599 ' HA ' HD13 ' B' ' 28' ' ' LEU . 95.6 p -74.52 171.63 13.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.288 0.566 . . . . 25.0 111.596 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.38 67.93 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.719 -0.753 . . . . 25.0 112.593 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -63.43 -35.33 80.06 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.835 0.826 . . . . 25.0 110.637 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -75.37 -24.34 57.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.064 -1.426 . . . . 25.0 111.337 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.78 -28.26 4.71 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.097 -0.801 . . . . 25.0 111.097 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -119.82 154.15 34.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.603 0.716 . . . . 25.0 112.3 175.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -20.63 42.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -100.23 5.37 44.67 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 122.03 0.919 . . . . 25.0 109.299 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -126.83 155.63 42.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 113.854 -1.521 . . . . 25.0 108.15 -175.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' B' ' 19' ' ' SER . 7.7 tp -159.16 143.65 15.48 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.4 p -72.77 149.89 43.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -55.74 -41.8 74.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.614 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -59.42 -39.09 82.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HG2' HD11 ' B' ' 28' ' ' LEU . 18.9 tp10 -67.1 -38.01 84.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.323 0.582 . . . . 25.0 109.485 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.97 -39.88 95.13 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.691 -0.686 . . . . 25.0 110.663 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.23 -39.65 87.43 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.224 0.535 . . . . 25.0 110.255 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -45.82 36.85 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.736 -0.666 . . . . 25.0 112.752 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.93 -32.71 73.35 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.197 -0.601 . . . . 25.0 110.522 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.32 -43.28 98.25 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.894 -0.503 . . . . 25.0 110.344 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -79.58 -22.57 43.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.853 -0.739 . . . . 25.0 111.004 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -30.92 58.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.807 0.337 . . . . 25.0 110.349 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 5.9 mm-40 -98.98 -45.22 6.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -66.98 0.79 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.751 -0.658 . . . . 25.0 111.13 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.8 p 38.52 41.05 0.43 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.03 -48.85 0.05 OUTLIER Glycine 0 C--O 1.223 -0.566 0 CA-C-O 122.137 0.854 . . . . 25.0 112.6 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -17.95 63.36 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -176.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.94 -24.55 67.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.932 177.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -91.65 -18.85 23.37 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 123.14 1.448 . . . . 25.0 109.206 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.57 -9.6 57.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.041 -1.436 . . . . 25.0 112.431 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -71.81 128.3 35.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -115.89 -25.33 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 111.995 0.368 . . . . 25.0 111.995 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -79.07 93.23 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 25.0 110.044 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.24 -34.72 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.306 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.25 -37.48 85.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.229 0.538 . . . . 25.0 110.34 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.28 -54.67 13.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.593 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.62 -32.55 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.097 -0.501 . . . . 25.0 111.813 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.91 -48.95 79.46 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -35.74 72.44 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.66 -174.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.58 -43.45 62.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.62 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.74 -40.88 92.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.284 -0.885 . . . . 25.0 111.541 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -72.04 -27.46 62.72 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.085 -0.646 . . . . 25.0 111.266 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -47.92 71.11 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 106.056 -1.831 . . . . 25.0 106.056 177.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -31.79 73.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.575 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.7 73.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.831 -0.543 . . . . 25.0 111.389 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.8 -32.28 27.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.537 0.684 . . . . 25.0 110.597 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -105.17 6.45 33.06 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.1 -32.57 67.33 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 114.32 0.488 . . . . 25.0 114.32 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.51 -0.87 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.93 -162.29 37.87 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 109.712 -1.355 . . . . 25.0 109.712 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.36 146.29 52.21 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -172.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.54 179.07 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.507 -0.769 . . . . 25.0 109.184 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -128.47 -174.08 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.162 -0.336 . . . . 25.0 110.232 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.52 -40.49 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.249 0.462 . . . . 25.0 112.249 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -64.88 -39.09 93.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.26 -0.274 . . . . 25.0 110.26 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -31.08 67.28 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.297 -0.561 . . . . 25.0 110.733 176.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -66.84 -40.11 87.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -57.42 -37.42 57.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.038 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -71.14 -39.73 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -65.07 -35.66 81.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.07 -0.514 . . . . 25.0 111.908 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.35 -31.61 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.338 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.66 61.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.13 -0.356 . . . . 25.0 111.682 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -73.37 -36.69 66.13 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.078 -0.712 . . . . 25.0 109.078 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.2 m -67.11 -45.86 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 25.0 111.788 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.48 -32.34 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.162 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.46 -24.95 61.27 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 122.069 -0.395 . . . . 25.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.7 t -85.82 -51.52 6.35 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.05 -37.72 6.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -169.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -19.46 62.45 Favored 'General case' 0 C--O 1.208 -1.108 0 O-C-N 121.782 -0.574 . . . . 25.0 109.733 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.434 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 64.2 t80 -40.85 -23.65 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 117.167 2.284 . . . . 25.0 117.167 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -79.87 11.09 3.5 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 123.37 0.668 . . . . 25.0 112.651 177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.434 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.77 -12.68 11.43 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.124 0.97 . . . . 25.0 111.971 173.198 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.79 160.71 29.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.51 120.79 14.53 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.371 -0.932 . . . . 25.0 109.304 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.246 0.908 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.442 -178.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 CA-C-O 119.745 -0.475 . . . . 25.0 112.307 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -105.76 163.41 12.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.378 0.671 . . . . 25.0 109.873 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.0 -24.24 67.64 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.779 -0.576 . . . . 25.0 110.081 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -29.97 70.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.44 -26.84 34.99 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 118.217 0.462 . . . . 25.0 111.565 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.83 -21.25 60.98 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 123.395 1.569 . . . . 25.0 109.007 177.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.39 -56.9 14.79 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.225 -0.922 . . . . 25.0 112.375 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG2' ' H ' ' A' ' 8' ' ' MET . 12.0 ptp -58.44 -27.68 64.57 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.631 0.975 . . . . 25.0 113.631 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -32.69 74.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.015 0.436 . . . . 25.0 110.595 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 40.8 p -74.06 -38.25 64.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.186 0.517 . . . . 25.0 111.084 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.89 -38.1 89.83 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 108.512 -0.921 . . . . 25.0 108.512 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.28 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.18 75.09 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 111.414 0.153 . . . . 25.0 111.414 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -84.16 -31.98 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.099 0.476 . . . . 25.0 112.278 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -67.58 -57.44 6.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 122.961 1.362 . . . . 25.0 110.922 -176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.71 -14.16 61.5 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 112.85 -1.977 . . . . 25.0 110.945 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.63 -38.19 73.86 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -95.23 -5.71 43.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.299 0.852 . . . . 25.0 113.299 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -64.52 160.77 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -171.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.94 55.16 Favored Glycine 0 C--O 1.219 -0.797 0 CA-C-N 115.307 -0.861 . . . . 25.0 113.267 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -70.33 -30.42 67.38 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.498 -0.413 . . . . 25.0 111.858 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -21.64 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.98 4.08 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-O 118.974 -0.903 . . . . 25.0 114.694 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -102.35 155.71 18.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 118.757 1.279 . . . . 25.0 110.907 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -13.11 47.94 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' HB3' HD22 ' B' ' 87' ' ' ASN . 26.6 m-85 -105.48 9.52 33.52 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.221 1.01 . . . . 25.0 108.824 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -133.49 169.7 16.59 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 113.529 -1.669 . . . . 25.0 107.298 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mt -157.25 169.48 24.65 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 52.0 p -88.85 157.35 18.48 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' HD11 ' A' ' 61' ' ' LEU . 34.0 mttm -57.52 -49.61 75.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.832 0.348 . . . . 25.0 111.371 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -54.74 -35.57 63.88 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 115.034 1.494 . . . . 25.0 115.034 -174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.62 -38.18 90.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.052 0.453 . . . . 25.0 111.039 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.77 -38.74 92.24 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.833 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -63.34 -35.45 80.42 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.141 -0.223 . . . . 25.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -81.15 -41.37 22.53 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.432 -0.507 . . . . 25.0 111.808 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.64 -31.2 68.05 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.582 -0.699 . . . . 25.0 110.367 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -43.8 97.39 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.718 -0.614 . . . . 25.0 110.139 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -78.73 -22.43 46.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.982 -0.687 . . . . 25.0 111.357 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -28.25 29.5 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -99.08 -44.15 6.4 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 44' ' ' PHE . 1.1 tt -81.0 -60.29 2.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.342 -174.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m 46.3 28.79 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.59 -55.12 0.07 OUTLIER Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.948 0.749 . . . . 25.0 113.687 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -71.24 -14.21 62.16 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 -175.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.64 -24.39 67.03 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.277 176.212 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.21 -23.32 18.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.981 1.372 . . . . 25.0 109.014 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 5.49 13.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.122 -1.399 . . . . 25.0 112.977 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.47 HE21 HD22 ' A' ' 81' ' ' LEU . 35.1 mt-30 -79.72 119.24 22.37 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.935 -0.478 . . . . 25.0 110.388 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -102.46 -24.28 13.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.029 -0.419 . . . . 25.0 111.138 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -84.54 83.29 8.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.05 -35.07 74.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.149 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.16 -31.92 73.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.257 0.551 . . . . 25.0 111.097 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -59.48 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.402 0.62 . . . . 25.0 109.982 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -64.29 -32.0 55.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.95 -46.55 87.21 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -24.41 63.54 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.476 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.29 -43.46 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.305 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.86 -38.03 87.72 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.975 -0.69 . . . . 25.0 109.447 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -25.86 62.11 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.405 -0.518 . . . . 25.0 111.635 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.55 -47.15 50.53 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -63.08 -33.72 76.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.118 -0.947 . . . . 25.0 110.204 -178.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.86 -37.78 82.28 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -89.15 -14.16 36.77 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.062 -0.399 . . . . 25.0 111.623 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -114.59 10.24 16.74 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 121.326 0.584 . . . . 25.0 112.081 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.07 -29.73 56.26 Favored Glycine 0 C--N 1.318 -0.432 0 N-CA-C 115.981 1.152 . . . . 25.0 115.981 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.94 4.12 20.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.432 0.616 . . . . 25.0 111.338 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -83.05 -159.47 27.38 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 108.934 -1.666 . . . . 25.0 108.934 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 12.8 pt-20 -136.77 156.7 48.16 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.021 0.439 . . . . 25.0 112.159 -172.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.58 173.45 9.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 114.413 -1.267 . . . . 25.0 110.959 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -176.75 4.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 173.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.35 -41.67 85.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.82 -38.23 88.35 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.222 -0.924 . . . . 25.0 110.474 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -67.05 -42.2 85.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.683 0.754 . . . . 25.0 109.297 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.719 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -55.85 -37.98 49.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.581 -0.736 . . . . 25.0 112.349 176.472 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.31 -39.95 79.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.67 -35.65 80.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.07 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.56 -35.25 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 119.207 -0.997 . . . . 25.0 108.564 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.19 -20.71 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.841 -0.537 . . . . 25.0 111.823 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.31 73.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.398 0.618 . . . . 25.0 109.417 173.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 HD22 HE21 ' A' ' 48' ' ' GLN . 36.1 mt -72.54 -35.97 68.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -42.15 76.23 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.8 m -68.97 -34.65 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 119.471 -0.892 . . . . 25.0 109.938 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.21 -28.99 66.86 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 109.553 -0.536 . . . . 25.0 109.553 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.5 t -82.73 -47.54 11.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.778 1.029 . . . . 25.0 113.778 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.31 -41.1 4.73 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -168.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -19.49 63.6 Favored 'General case' 0 C--O 1.208 -1.108 0 C-N-CA 123.174 0.59 . . . . 25.0 111.488 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 67.4 t80 -41.18 -21.26 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 118.07 2.618 . . . . 25.0 118.07 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.13 10.84 4.74 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.741 -0.599 . . . . 25.0 112.49 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.451 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -59.24 -18.41 36.86 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.497 0.719 . . . . 25.0 110.823 172.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.49 155.63 16.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.865 -0.607 . . . . 25.0 110.925 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.26 77.78 9.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.622 1.677 . . . . 25.0 109.373 -177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 112.121 -2.308 . . . . 25.0 112.764 179.157 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 110.529 -1.029 . . . . 25.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -75.67 145.43 40.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.268 0.556 . . . . 25.0 111.394 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.01 -39.71 94.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -28.14 67.87 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 25.0 112.08 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -82.17 -31.13 30.6 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.14 -0.35 . . . . 25.0 111.224 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -68.84 -22.1 64.24 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.559 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.96 -56.55 16.82 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.7 ptp -61.13 -24.92 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.45 -33.78 76.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 25.0 109.866 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 69.5 p -73.22 -39.64 65.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.991 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -37.87 89.02 Favored 'General case' 0 C--O 1.208 -1.08 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.07 -40.14 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -46.31 76.66 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.97 0.169 . . . . 25.0 111.229 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -84.78 -30.09 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.34 -57.83 6.63 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 122.606 1.193 . . . . 25.0 110.111 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -69.42 -20.28 63.79 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.461 -1.7 . . . . 25.0 110.995 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.45 91.15 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.996 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -101.78 -0.44 34.3 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.416 0.524 . . . . 25.0 112.416 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.8 p -73.26 159.84 32.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.659 1.355 . . . . 25.0 114.659 -170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -4.95 56.2 Favored Glycine 0 C--O 1.221 -0.707 0 CA-C-N 115.141 -0.936 . . . . 25.0 112.71 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -66.62 -24.13 66.27 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.59 -0.359 . . . . 25.0 110.276 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.02 -26.17 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.72 -0.673 . . . . 25.0 111.032 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.49 -30.78 4.16 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.577 -0.609 . . . . 25.0 111.577 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.99 153.09 32.26 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 173.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -93.07 -9.59 39.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -94.17 2.93 55.89 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.56 1.172 . . . . 25.0 109.297 175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -132.81 158.39 42.61 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 113.207 -1.815 . . . . 25.0 108.367 -171.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -158.53 150.14 21.1 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 172.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -71.05 148.68 47.3 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -52.35 -43.29 64.56 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -56.77 -39.16 73.54 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -65.79 -38.08 88.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.57 0.7 . . . . 25.0 110.198 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.55 -36.82 83.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.894 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -66.48 -33.23 75.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.254 -0.279 . . . . 25.0 110.681 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.97 -42.8 31.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.63 -30.79 68.59 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.804 -0.758 . . . . 25.0 109.594 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.67 -43.88 95.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.727 -0.608 . . . . 25.0 110.232 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -78.7 -22.41 46.7 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.452 -0.78 . . . . 25.0 110.943 -175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -30.21 40.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 121.054 -0.258 . . . . 25.0 111.109 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.52 -45.1 6.22 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -65.86 0.96 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.286 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.36 35.4 2.74 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.617 1.34 . . . . 25.0 114.617 -176.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.44 -30.77 0.12 Allowed Glycine 0 C--O 1.217 -0.942 0 N-CA-C 115.856 1.102 . . . . 25.0 115.856 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -96.05 -23.74 16.66 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 121.589 -0.948 . . . . 25.0 112.102 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.445 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -61.72 -24.21 66.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.492 -176.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.69 -16.91 13.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.526 0.679 . . . . 25.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.98 6.68 12.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.523 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.11 126.85 30.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -100.28 -28.52 12.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.306 0.242 . . . . 25.0 111.153 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -72.66 96.86 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.359 0.599 . . . . 25.0 110.688 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.23 -33.54 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.926 . . . . 25.0 111.859 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.62 -40.76 76.4 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.473 -0.767 . . . . 25.0 109.812 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.0 70.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.578 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.01 -35.95 76.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.38 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.31 -34.22 70.4 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 119.606 -0.838 . . . . 25.0 112.901 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -83.59 -39.29 20.51 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.428 -0.17 . . . . 25.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -87.28 -36.32 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -174.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.15 -37.11 80.68 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 117.437 -1.705 . . . . 25.0 108.531 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -73.06 -25.77 61.03 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.965 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.5 -48.92 65.67 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -34.47 77.89 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.181 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -68.15 -35.47 78.13 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.871 -0.518 . . . . 25.0 112.34 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.18 -31.68 24.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.442 0.639 . . . . 25.0 110.248 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -104.03 9.59 36.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.942 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.36 -30.42 64.65 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-N 116.182 -0.463 . . . . 25.0 113.19 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.37 -0.11 35.5 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.9 -158.92 33.8 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 109.867 -1.293 . . . . 25.0 109.867 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.36 147.77 52.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -172.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.86 174.42 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.27 -174.1 2.97 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.995 -0.441 . . . . 25.0 110.379 -175.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -57.93 -42.11 84.18 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -61.93 -41.42 97.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.43 -27.73 65.52 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.981 -0.288 . . . . 25.0 111.18 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.61 -41.19 84.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.087 -0.708 . . . . 25.0 109.087 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 HG13 ' A' ' 75' ' ' VAL . 78.3 t -63.03 -34.91 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.167 -0.47 . . . . 25.0 109.911 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.82 -40.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.36 -36.44 82.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.231 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.19 -32.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 119.349 -0.94 . . . . 25.0 108.744 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.54 -20.68 60.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.47 75.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -72.75 -36.42 67.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -65.98 -47.85 73.2 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 111.929 0.344 . . . . 25.0 111.929 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.91 -34.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.19 -0.604 . . . . 25.0 109.628 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.04 -30.26 61.01 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.346 -0.542 . . . . 25.0 110.749 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 39.1 t -84.48 -42.77 15.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -109.46 -52.42 2.77 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -172.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.406 HD22 ' HB3' ' A' ' 26' ' ' TYR . 35.7 m120 -67.82 -16.18 63.98 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 113.296 0.851 . . . . 25.0 113.296 -175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.586 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.0 p90 -46.69 -15.58 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 117.155 2.28 . . . . 25.0 117.155 177.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.23 9.41 3.14 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.658 0.783 . . . . 25.0 111.076 174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -60.41 -14.4 18.77 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.908 0.883 . . . . 25.0 113.369 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.56 103.21 6.42 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 106.683 -1.599 . . . . 25.0 106.683 175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -94.77 135.79 35.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.92 0.391 . . . . 25.0 110.121 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.8 p . . . . . 0 C--O 1.255 1.375 0 CA-C-O 117.001 -1.475 . . . . 25.0 110.992 178.624 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.101 0 CA-C-O 118.853 -0.97 . . . . 25.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -105.74 153.82 21.34 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 117.134 0.467 . . . . 25.0 110.817 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.92 -25.6 68.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.162 0.506 . . . . 25.0 110.412 172.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.05 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.245 0.545 . . . . 25.0 111.792 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.93 -31.13 31.48 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.623 -0.673 . . . . 25.0 111.625 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -22.29 65.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.37 -54.44 40.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.323 -0.853 . . . . 25.0 113.091 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ptp -60.78 -27.32 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.581 0.585 . . . . 25.0 112.581 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -33.01 74.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.762 0.791 . . . . 25.0 110.733 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 41.3 p -73.69 -38.43 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.915 -0.49 . . . . 25.0 111.189 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.03 -36.62 83.74 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.65 -38.45 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -45.68 74.84 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 111.584 0.216 . . . . 25.0 111.584 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.35 -31.6 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -66.65 -55.33 15.73 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 122.496 1.141 . . . . 25.0 110.821 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -73.38 -14.46 61.28 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.608 -1.633 . . . . 25.0 110.835 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.31 -39.25 78.38 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -94.64 -10.26 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -62.1 149.5 41.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -170.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.22 -3.57 51.28 Favored Glycine 0 C--O 1.222 -0.647 0 CA-C-N 114.89 -1.05 . . . . 25.0 113.166 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -67.48 -25.06 65.69 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.8 -28.15 28.32 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.08 174.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.58 -29.78 4.39 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.642 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.0 154.17 22.04 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.927 0.864 . . . . 25.0 112.339 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.31 -23.02 61.87 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -173.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -114.49 15.88 17.77 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 120.997 0.427 . . . . 25.0 111.496 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -132.35 150.73 52.1 Favored 'General case' 0 CA--C 1.488 -1.433 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -173.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 28' ' ' LEU . 6.8 mt -154.45 148.17 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 p -70.66 150.19 46.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -52.89 -42.42 65.3 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.6 0.593 . . . . 25.0 112.6 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -57.19 -39.44 75.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -63.61 -38.79 92.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.406 0.622 . . . . 25.0 110.489 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -37.84 84.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.506 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.74 -32.36 73.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.65 -47.38 26.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.424 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.49 -30.72 67.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.714 -0.616 . . . . 25.0 111.383 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.53 -42.03 98.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.775 -0.578 . . . . 25.0 110.394 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -80.32 -22.58 41.37 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.735 -0.603 . . . . 25.0 110.078 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -33.39 49.74 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 123.297 0.373 . . . . 25.0 111.924 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -95.19 -45.12 7.32 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -60.16 2.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.687 -172.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.54 25.06 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.649 1.722 . . . . 25.0 115.649 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.2 -55.81 0.1 Allowed Glycine 0 C--O 1.228 -0.246 0 CA-C-O 121.688 0.604 . . . . 25.0 112.889 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -20.09 63.13 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -174.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.9 -26.05 67.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.001 -1.0 . . . . 25.0 109.808 176.072 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.53 -21.41 15.93 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.591 1.186 . . . . 25.0 109.251 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.46 -12.11 61.36 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.625 -1.17 . . . . 25.0 111.53 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.96 140.25 58.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.686 178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -123.97 -23.24 4.66 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -73.32 95.06 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 25.0 110.467 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.28 -34.56 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 25.0 111.913 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.3 -40.95 81.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.838 -1.145 . . . . 25.0 109.942 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.03 -48.65 65.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.271 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.48 -33.09 59.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.18 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.96 -38.68 66.66 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.362 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -38.21 64.03 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.7 t -82.72 -39.9 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.101 -0.5 . . . . 25.0 111.681 -172.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.7 mmt -65.89 -40.21 91.35 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 118.823 -1.151 . . . . 25.0 109.201 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -70.82 -22.23 62.36 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.581 -0.447 . . . . 25.0 112.038 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -74.79 -49.5 20.6 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 105.949 -1.871 . . . . 25.0 105.949 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -34.74 77.08 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.055 -177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -66.74 -33.68 76.17 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -86.36 -31.71 21.36 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.924 0.868 . . . . 25.0 111.624 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -101.94 9.42 40.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.841 -1.072 . . . . 25.0 112.659 -171.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.2 -32.41 67.44 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -85.47 6.81 25.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.882 0.341 . . . . 25.0 111.879 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.29 -158.42 31.25 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 108.565 -1.814 . . . . 25.0 108.565 174.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.93 143.4 44.91 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.39 175.12 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.879 -0.601 . . . . 25.0 110.984 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.18 -174.1 3.24 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.228 -0.295 . . . . 25.0 110.498 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.31 -40.09 77.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.717 0.636 . . . . 25.0 112.717 178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 30.2 tt0 -64.49 -40.7 96.17 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -33.36 72.99 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.449 175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.72 -43.88 87.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.441 -0.787 . . . . 25.0 110.536 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -63.77 -29.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 122.085 -0.385 . . . . 25.0 111.061 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.4 t -74.66 -36.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.23 -35.18 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.302 -0.249 . . . . 25.0 111.521 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.57 -33.85 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.359 -0.936 . . . . 25.0 108.879 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -20.8 62.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.076 -0.39 . . . . 25.0 111.49 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.09 -34.45 74.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.9 -38.21 69.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -43.45 80.33 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.285 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.538 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 34.5 m -71.93 -30.45 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 118.662 -1.215 . . . . 25.0 111.093 -176.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.06 60.78 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -81.75 -54.55 5.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -108.09 -44.24 4.22 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -168.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -65.81 -20.96 66.44 Favored 'General case' 0 C--O 1.192 -1.958 0 CA-C-O 118.939 -0.553 . . . . 25.0 110.124 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 64.0 t80 -42.33 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.416 2.747 . . . . 25.0 118.416 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 75.0 m-85 -86.33 11.2 12.78 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.146 0.978 . . . . 25.0 110.782 176.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -55.6 -2.81 0.05 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.024 2.129 . . . . 25.0 115.872 -178.083 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -54.02 119.6 5.28 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -73.63 130.42 39.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.424 -0.807 . . . . 25.0 112.329 -165.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -176.665 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.484 0 N-CA-C 112.806 -0.118 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -87.78 144.26 26.71 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -66.3 -28.34 68.62 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.375 -0.828 . . . . 25.0 110.304 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -28.46 69.03 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.86 -29.01 32.69 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 119.722 -0.791 . . . . 25.0 112.103 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -22.13 66.89 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 107.821 -1.178 . . . . 25.0 107.821 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.56 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.24 -57.36 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.089 -0.959 . . . . 25.0 112.359 -175.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.0 ptp -58.84 -27.13 64.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.77 -32.6 73.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.459 0.647 . . . . 25.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 47.6 p -75.63 -38.92 58.56 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 122.066 -0.396 . . . . 25.0 110.947 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.21 -37.63 88.15 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.08 -40.0 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -43.4 76.14 Favored 'General case' 0 C--O 1.214 -0.816 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.221 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -86.46 -31.84 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.1 -57.53 8.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.301 1.048 . . . . 25.0 111.811 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -71.92 -16.02 62.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.135 -1.393 . . . . 25.0 111.15 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.45 69.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 25.0 110.314 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -116.49 5.35 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.2 p -65.15 155.83 33.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.892 0.853 . . . . 25.0 113.276 -175.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.63 -4.15 59.56 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.461 -0.876 . . . . 25.0 113.764 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -64.37 -35.66 81.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.222 0.534 . . . . 25.0 110.049 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.83 -28.63 65.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.923 -1.035 . . . . 25.0 110.628 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -17.18 6.46 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.641 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -124.69 146.3 49.21 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.193 0.997 . . . . 25.0 111.967 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.533 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.09 -21.77 64.94 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 116.667 2.099 . . . . 25.0 116.667 -170.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 21.5 m-85 -114.38 21.45 14.61 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.646 0.736 . . . . 25.0 110.983 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -136.87 153.78 50.67 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 114.533 -1.212 . . . . 25.0 108.326 -172.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 28' ' ' LEU . 6.6 mt -156.83 149.12 23.15 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 106.258 -1.756 . . . . 25.0 106.258 176.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 67.4 m -83.95 157.01 22.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.542 -0.911 . . . . 25.0 108.542 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -56.45 -39.98 74.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.107 0.41 . . . . 25.0 112.107 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -56.2 -36.01 67.91 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.102 0.477 . . . . 25.0 111.938 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.35 -39.05 65.51 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-O 121.511 0.672 . . . . 25.0 110.621 -175.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -36.73 83.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 25.0 109.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -61.46 -37.58 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 25.0 110.751 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.72 -45.23 37.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 -176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.24 -28.47 66.37 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.4 96.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.825 -0.547 . . . . 25.0 109.974 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -81.65 -22.56 37.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.555 -0.716 . . . . 25.0 110.981 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -27.75 63.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.997 -0.371 . . . . 25.0 109.997 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -107.14 -44.81 4.28 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 116.775 2.139 . . . . 25.0 116.775 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.84 -63.38 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.065 -172.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m 33.21 43.96 0.05 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 115.272 1.582 . . . . 25.0 115.272 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.58 0.07 OUTLIER Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.34 -0.457 . . . . 25.0 113.66 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -20.69 63.26 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.241 1.2 . . . . 25.0 114.241 -174.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.512 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.51 -23.73 67.52 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.412 176.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -98.86 -16.23 18.93 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.728 1.251 . . . . 25.0 109.053 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 2.6 28.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.36 -1.291 . . . . 25.0 110.926 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -79.88 121.94 26.04 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.158 0.504 . . . . 25.0 110.657 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -93.05 -30.06 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.243 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -74.51 97.23 3.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.377 0.608 . . . . 25.0 112.452 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.36 -34.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 25.0 112.194 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.04 -36.69 72.45 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.353 -0.939 . . . . 25.0 110.148 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.57 60.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.95 -35.65 75.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.481 -0.488 . . . . 25.0 110.986 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.25 -37.31 85.19 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.957 -0.464 . . . . 25.0 111.143 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -83.51 -33.18 25.58 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -81.43 -36.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 111.666 0.247 . . . . 25.0 111.666 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mtp -66.81 -38.23 86.06 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.789 -1.195 . . . . 25.0 109.542 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -73.51 -29.48 62.51 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.924 -0.71 . . . . 25.0 111.634 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.29 -48.87 71.63 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -30.85 71.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.939 0.399 . . . . 25.0 110.709 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.35 -34.42 74.57 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.582 -0.699 . . . . 25.0 112.29 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.1 -18.49 22.55 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.017 -0.427 . . . . 25.0 112.13 -178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -112.29 4.53 17.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.52 79.63 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 116.293 -0.412 . . . . 25.0 113.749 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -84.63 7.63 19.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.842 0.312 . . . . 25.0 111.842 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.53 -146.4 6.06 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 111.187 -0.765 . . . . 25.0 111.187 175.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 9.3 pt-20 -148.94 142.36 25.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -149.83 -178.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 122.6 0.36 . . . . 25.0 110.821 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -130.85 -174.21 3.3 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.783 -0.573 . . . . 25.0 111.86 -172.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -56.62 -41.33 76.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.452 ' HB2' HG11 ' A' ' 83' ' ' VAL . 30.3 tt0 -64.28 -38.72 92.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 25.0 109.855 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.63 -31.16 69.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.784 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -67.58 -42.13 83.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.451 -0.781 . . . . 25.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.39 -41.54 81.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.839 -0.619 . . . . 25.0 112.161 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.67 -26.55 16.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 121.001 -1.062 . . . . 25.0 110.41 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.66 -29.41 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.131 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.8 -31.57 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.611 -1.236 . . . . 25.0 108.536 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.531 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -71.15 -20.64 62.28 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.01 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.69 -35.9 70.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -67.75 -44.85 76.54 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' B' ' 87' ' ' ASN . 35.4 m -68.06 -34.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 119.725 -0.79 . . . . 25.0 109.793 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.2 60.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.858 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.19 -48.31 10.64 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -111.43 -36.39 5.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -170.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.443 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.1 OUTLIER -67.91 -20.91 65.14 Favored 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 109.813 -0.44 . . . . 25.0 109.813 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.47 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 79.9 t80 -40.9 -23.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 117.652 2.464 . . . . 25.0 117.652 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -78.0 11.02 2.44 Favored 'General case' 0 CA--C 1.56 1.351 0 O-C-N 121.281 -0.887 . . . . 25.0 111.444 174.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.47 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -57.5 -24.21 54.57 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.38 -0.825 . . . . 25.0 112.574 176.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -84.71 103.11 13.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.556 1.169 . . . . 25.0 109.262 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -99.46 161.95 13.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.588 173.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--O 1.249 1.049 0 N-CA-C 105.144 -2.169 . . . . 25.0 105.144 175.683 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.0 -0.84 . . . . 25.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -81.65 164.31 21.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.251 -2.129 . . . . 25.0 105.251 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.32 -24.08 43.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.261 0.553 . . . . 25.0 110.315 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -30.48 71.52 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.323 -0.399 . . . . 25.0 111.859 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.47 -30.77 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -22.35 66.18 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 122.313 1.054 . . . . 25.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.72 -57.83 9.93 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.938 -1.028 . . . . 25.0 112.862 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 ptp -58.75 -26.13 63.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.13 -34.73 78.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.238 0.542 . . . . 25.0 110.682 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.491 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.9 p -74.07 -39.13 63.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.233 0.539 . . . . 25.0 111.26 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.65 -36.64 84.91 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 175.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -63.16 -39.91 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -46.31 75.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.973 0.17 . . . . 25.0 110.963 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 m -83.68 -31.31 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-O 121.252 0.548 . . . . 25.0 112.275 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -66.75 -56.21 11.54 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 122.332 1.063 . . . . 25.0 111.446 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -74.14 -14.0 60.9 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.027 -1.442 . . . . 25.0 111.351 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.23 -30.77 70.77 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 173.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -108.3 -9.58 15.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.767 1.766 . . . . 25.0 115.767 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.466 ' HA ' HD13 ' A' ' 28' ' ' LEU . 95.5 p -64.87 160.78 19.7 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.047 1.294 . . . . 25.0 112.125 -176.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -10.04 68.55 Favored Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.666 -0.697 . . . . 25.0 112.508 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -60.53 -42.09 95.78 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -103.56 41.7 1.25 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 124.858 2.266 . . . . 25.0 115.665 -172.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.6 -30.35 6.16 Favored Glycine 0 C--N 1.288 -2.094 0 CA-C-N 112.48 -2.145 . . . . 25.0 116.083 167.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -126.66 155.64 42.28 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 117.978 0.889 . . . . 25.0 113.377 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -73.56 -24.52 60.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.08 4.67 19.59 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 121.114 0.483 . . . . 25.0 111.493 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -115.83 149.92 37.82 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 19' ' ' SER . 13.8 tp -154.72 144.65 21.71 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 105.245 -2.132 . . . . 25.0 105.245 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 p -78.43 152.03 32.38 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.081 0.467 . . . . 25.0 111.909 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -57.19 -40.99 78.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 25.0 110.549 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -53.91 -42.89 69.23 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 28' ' ' LEU . 21.3 tp10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.222 0.534 . . . . 25.0 110.173 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.89 -38.5 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.961 -0.563 . . . . 25.0 110.848 -176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -63.9 -32.7 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.419 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -45.65 14.69 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.85 -31.69 72.78 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.235 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.5 -44.22 94.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 110.098 -0.334 . . . . 25.0 110.098 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -81.26 -24.03 37.58 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.662 -0.815 . . . . 25.0 111.155 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -30.82 66.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.483 -0.192 . . . . 25.0 110.483 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.89 -45.08 7.1 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 -64.99 1.02 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -172.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m 44.61 32.63 0.79 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.701 1.371 . . . . 25.0 114.701 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.75 -52.99 0.07 OUTLIER Glycine 0 C--N 1.332 0.345 0 CA-C-O 121.896 0.72 . . . . 25.0 113.332 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 -14.66 61.4 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -174.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.44 -25.12 67.87 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.328 175.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -93.55 -27.34 16.69 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.715 1.245 . . . . 25.0 108.636 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.28 -10.64 60.05 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.182 -1.372 . . . . 25.0 113.536 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -64.44 138.73 58.57 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 122.252 -0.28 . . . . 25.0 110.799 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -123.44 -25.94 4.32 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.219 -0.3 . . . . 25.0 111.689 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -81.48 87.01 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.97 -35.18 72.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.453 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.13 -31.31 72.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.28 0.562 . . . . 25.0 110.962 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.64 -57.86 3.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.302 0.572 . . . . 25.0 109.809 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.38 -31.98 55.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -171.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.8 -45.3 86.86 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.299 -0.56 . . . . 25.0 109.68 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.57 70.73 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.316 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.8 t -79.17 -44.88 24.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.287 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.88 -36.6 82.67 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.451 -0.781 . . . . 25.0 110.405 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -21.46 59.75 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.484 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -75.94 -45.63 34.07 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 105.241 -2.133 . . . . 25.0 105.241 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.548 -1.205 . . . . 25.0 110.398 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.95 -36.41 84.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -83.0 -33.27 26.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.138 0.97 . . . . 25.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -100.69 6.9 44.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.464 -1.244 . . . . 25.0 113.313 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.69 -30.48 74.96 Favored Glycine 0 CA--C 1.504 -0.617 0 CA-C-N 115.879 -0.601 . . . . 25.0 113.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.46 0.51 37.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.49 -166.63 39.17 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -132.25 144.24 50.48 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.853 -1.174 . . . . 25.0 113.364 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 m -148.58 -179.07 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 25.0 108.821 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -129.06 -174.17 3.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -171.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -55.85 -38.32 69.92 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.35 -36.9 85.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.31 -39.73 89.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.358 174.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.73 -44.02 91.5 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.238 -0.914 . . . . 25.0 110.292 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -32.3 55.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 O-C-N 122.228 -0.295 . . . . 25.0 111.72 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.1 -26.33 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.338 -0.851 . . . . 25.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -29.57 69.16 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -82.64 -33.52 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 118.71 -1.196 . . . . 25.0 109.164 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.24 -20.66 63.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.829 -0.544 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.422 0.629 . . . . 25.0 109.502 174.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 mt -75.32 -36.06 61.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -46.45 77.08 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.904 0.383 . . . . 25.0 111.788 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.61 -32.78 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 119.77 -0.772 . . . . 25.0 111.113 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.25 -29.56 57.55 Favored 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 20.9 t -81.59 -54.92 5.01 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.13 -45.46 5.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.978 0.894 . . . . 25.0 113.24 -168.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -72.0 -20.62 61.69 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 113.697 0.999 . . . . 25.0 113.697 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 34.1 t80 -40.27 -16.4 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.745 2.498 . . . . 25.0 117.745 177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.25 11.01 7.18 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.84 0.856 . . . . 25.0 111.646 173.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.465 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.12 -3.17 0.08 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 126.35 1.86 . . . . 25.0 115.72 -176.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.87 126.36 26.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 168.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.37 123.52 18.47 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.459 -0.896 . . . . 25.0 111.187 -169.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 114.399 -1.273 . . . . 25.0 108.595 -176.615 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.359 0 N-CA-C 110.84 -0.904 . . . . 25.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -96.39 152.02 19.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.04 -39.72 87.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.476 0.655 . . . . 25.0 109.797 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.71 -31.1 72.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.96 -25.53 37.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.491 -0.755 . . . . 25.0 111.647 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.7 m -69.44 -22.17 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.491 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.01 -54.9 32.77 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ptp -59.74 -26.01 65.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.05 -33.88 75.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.6 0.715 . . . . 25.0 110.449 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 41.0 p -74.34 -39.54 62.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 25.0 110.893 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -35.92 82.69 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.87 -39.61 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -44.79 78.03 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.347 -176.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -85.02 -32.43 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.7 -57.99 6.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.742 1.258 . . . . 25.0 111.311 -176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.79 -14.98 62.14 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.445 -1.707 . . . . 25.0 110.543 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.49 74.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -102.93 -3.57 25.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -65.86 159.88 24.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -171.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.14 10.62 41.76 Favored Glycine 0 C--O 1.22 -0.723 0 CA-C-N 114.953 -1.021 . . . . 25.0 112.639 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -80.73 -28.29 36.6 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.717 -0.284 . . . . 25.0 110.903 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -26.7 55.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.583 -1.636 . . . . 25.0 106.583 171.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.28 -29.56 4.52 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.17 -1.35 . . . . 25.0 115.14 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -103.0 155.21 18.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 119.781 1.79 . . . . 25.0 113.116 175.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -23.09 64.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -172.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -111.62 15.93 20.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 25.0 111.295 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.17 151.41 50.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.555 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 28' ' ' LEU . 5.0 mt -154.12 164.29 38.73 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 99.0 p -86.01 158.48 19.84 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -62.06 -41.56 98.27 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.661 0.267 . . . . 25.0 111.44 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.1 -36.35 72.76 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 121.113 0.482 . . . . 25.0 111.391 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -38.95 85.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.328 0.585 . . . . 25.0 110.795 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -37.21 83.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.263 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.65 -40.29 91.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.851 0.358 . . . . 25.0 110.861 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.57 -38.01 35.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.11 -29.57 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.302 -0.874 . . . . 25.0 110.118 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.88 -43.63 95.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.904 -0.498 . . . . 25.0 110.328 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -79.98 -22.62 42.34 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.997 -0.681 . . . . 25.0 111.18 -174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -27.99 60.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.528 0.204 . . . . 25.0 111.217 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.99 -44.89 5.35 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.68 0.993 . . . . 25.0 113.68 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.38 -61.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.877 -174.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.75 29.79 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.41 -52.4 0.08 OUTLIER Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.553 0.529 . . . . 25.0 113.325 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 1.2 m-85 -71.41 -16.48 62.4 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 -175.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -63.97 -25.1 67.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.184 -0.916 . . . . 25.0 109.654 175.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -99.83 -26.44 14.02 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.841 1.305 . . . . 25.0 109.029 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -71.12 -5.02 28.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.394 -1.276 . . . . 25.0 113.022 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.4 ' HB3' HG11 ' B' ' 54' ' ' VAL . 53.0 mt-30 -64.41 141.58 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 122.348 0.259 . . . . 25.0 111.484 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -129.47 -24.31 2.8 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.423 ' H ' ' HB1' ' B' ' 84' ' ' ALA . 66.7 t0 -79.88 90.75 5.32 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 174.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.7 -36.16 75.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.299 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.61 -31.21 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.272 0.558 . . . . 25.0 111.141 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.72 -57.79 3.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.563 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.4 HG11 ' HB3' ' B' ' 48' ' ' GLN . 26.8 m -65.97 -30.41 49.9 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 N-CA-C 113.854 1.057 . . . . 25.0 113.854 -170.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.53 -44.34 91.16 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.36 73.16 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.328 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.53 -43.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.365 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.6 mtp -65.68 -41.01 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.686 -0.634 . . . . 25.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -26.12 64.47 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 119.942 -0.703 . . . . 25.0 111.547 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -74.53 -47.0 35.44 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -36.55 84.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.062 0.458 . . . . 25.0 110.313 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.33 -31.08 71.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -96.18 -11.79 25.62 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.3 10.51 11.99 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.77 68.1 Favored Glycine 0 C--O 1.227 -0.309 0 N-CA-C 114.637 0.615 . . . . 25.0 114.637 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -86.39 7.84 24.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.065 0.433 . . . . 25.0 111.985 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.56 -156.74 25.49 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 108.133 -1.987 . . . . 25.0 108.133 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -138.46 148.86 44.84 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.78 -179.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.614 -1.175 . . . . 25.0 109.741 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.33 -174.31 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.92 -42.2 79.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.332 0.493 . . . . 25.0 112.332 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.28 -40.59 94.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.511 -0.551 . . . . 25.0 109.511 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -29.92 68.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 25.0 111.544 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -66.58 -41.29 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.669 -0.812 . . . . 25.0 109.183 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.18 -38.06 75.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.938 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.15 -37.32 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.44 -35.91 82.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.265 -0.425 . . . . 25.0 112.063 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 m -75.66 -31.19 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.527 -0.869 . . . . 25.0 109.156 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.71 -20.6 60.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -30.3 68.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.09 54.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.908 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -66.51 -46.71 75.31 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.16 -35.04 74.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.569 -177.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.423 ' HB1' ' H ' ' B' ' 50' ' ' ASP . . . -76.03 -32.78 59.52 Favored 'General case' 0 C--O 1.201 -1.467 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.419 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.5 -44.96 33.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.676 0.991 . . . . 25.0 113.676 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -108.38 -51.18 2.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -171.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -68.66 -21.0 64.47 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.646 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 4.9 p90 -46.34 -15.86 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.174 2.657 . . . . 25.0 118.174 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -79.43 10.96 3.28 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.114 0.565 . . . . 25.0 111.282 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.646 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -57.57 -12.42 2.76 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 178.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.93 159.6 22.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.362 0.601 . . . . 25.0 110.254 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.238 0.542 . . . . 25.0 110.745 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.253 1.245 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 178.64 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.839 0 N-CA-C 111.457 -0.657 . . . . 25.0 111.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -105.76 171.89 7.09 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -30.11 61.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -26.95 68.94 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -178.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.61 -25.19 49.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.162 0.506 . . . . 25.0 111.632 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -22.24 52.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.65 0.738 . . . . 25.0 109.578 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.42 -58.08 7.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.488 -0.778 . . . . 25.0 112.702 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -33.63 65.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.64 -34.75 74.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.863 0.363 . . . . 25.0 111.677 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 59.0 p -71.69 -38.76 70.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 25.0 110.888 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.44 -37.27 84.79 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.1 -38.04 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -47.03 76.95 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.973 0.171 . . . . 25.0 111.1 -178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 m -83.23 -31.86 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.288 0.566 . . . . 25.0 112.15 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -65.91 -59.03 4.25 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 122.688 1.232 . . . . 25.0 110.78 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -72.11 -15.12 61.99 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.425 -1.716 . . . . 25.0 111.117 -176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -40.37 85.35 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.038 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -94.89 -8.93 35.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -63.9 156.39 27.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.201 1.556 . . . . 25.0 115.201 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.83 -5.92 43.55 Favored Glycine 0 C--O 1.227 -0.318 0 CA-C-N 114.74 -1.118 . . . . 25.0 112.768 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -61.34 -40.77 95.49 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.302 0.572 . . . . 25.0 109.895 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -106.33 41.86 1.36 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 124.845 2.259 . . . . 25.0 115.548 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.09 -30.86 7.55 Favored Glycine 0 C--N 1.289 -2.076 0 CA-C-N 112.321 -2.218 . . . . 25.0 114.753 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -137.69 160.46 39.16 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -11.13 50.74 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.678 1.362 . . . . 25.0 114.678 -175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -105.99 8.88 32.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -132.03 161.54 32.94 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -158.96 168.46 26.7 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 104.63 -2.359 . . . . 25.0 104.63 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 153.84 17.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -55.89 -39.52 71.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.182 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -56.51 -42.43 78.38 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -69.23 -40.49 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.66 -39.25 93.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.04 -0.527 . . . . 25.0 111.196 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -61.33 -39.55 90.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 25.0 109.723 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.2 -45.42 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -175.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.03 -32.63 74.22 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.04 0.448 . . . . 25.0 110.096 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.97 -49.55 69.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.821 -0.549 . . . . 25.0 109.863 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.14 -24.42 57.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.692 -0.803 . . . . 25.0 111.125 -172.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.08 63.65 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.124 0.265 . . . . 25.0 110.378 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.21 -43.09 8.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.422 0.629 . . . . 25.0 111.842 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -64.46 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -172.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m 43.04 36.21 0.89 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.7 -49.73 0.06 OUTLIER Glycine 0 C--N 1.334 0.455 0 CA-C-O 121.653 0.585 . . . . 25.0 113.162 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -18.97 63.05 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -176.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.29 -25.99 67.48 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.113 -0.949 . . . . 25.0 109.498 177.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -90.17 -26.74 19.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 122.709 1.242 . . . . 25.0 108.786 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.74 -9.28 58.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.321 -1.308 . . . . 25.0 112.672 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -73.8 117.93 16.16 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -108.91 -17.4 13.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.123 -0.361 . . . . 25.0 111.769 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -83.58 93.98 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.209 0.528 . . . . 25.0 110.816 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -34.68 66.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.766 -0.652 . . . . 25.0 111.418 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.46 -32.83 71.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.86 -0.736 . . . . 25.0 111.294 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 -52.64 17.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 25.0 109.823 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.94 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.808 -0.357 . . . . 25.0 111.542 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.44 -36.71 85.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.248 0.547 . . . . 25.0 110.532 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -83.43 -32.25 26.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 25.0 111.635 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.6 -38.34 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 116.563 -0.29 . . . . 25.0 111.762 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 mmt -68.29 -35.8 78.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 118.986 -1.086 . . . . 25.0 109.851 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -72.34 -29.42 63.79 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 119.854 -0.738 . . . . 25.0 110.401 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.43 -45.05 77.21 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 106.585 -1.635 . . . . 25.0 106.585 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -29.23 70.58 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.458 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.3 -38.78 75.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.159 0.504 . . . . 25.0 111.369 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.61 -35.65 45.33 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 122.206 1.003 . . . . 25.0 110.642 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -103.93 5.15 35.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 25.0 114.115 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.17 -31.59 69.58 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 121.827 -0.225 . . . . 25.0 113.636 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -83.53 0.45 46.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.011 0.375 . . . . 25.0 112.011 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 -178.98 41.91 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 107.302 -2.319 . . . . 25.0 107.302 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -119.1 143.88 46.92 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 112.951 -1.625 . . . . 25.0 112.491 -172.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 m -144.85 -178.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.875 -1.057 . . . . 25.0 109.774 -176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.31 -174.14 3.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.27 -0.269 . . . . 25.0 110.318 -174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -65.79 -37.58 86.68 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -70.72 -33.32 70.73 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.339 -0.544 . . . . 25.0 110.49 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -66.25 -43.84 85.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.034 -1.041 . . . . 25.0 109.947 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 HG12 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -64.66 -29.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 -177.256 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.8 -28.23 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.159 -0.963 . . . . 25.0 109.894 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.56 -29.32 68.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.08 -33.57 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 118.884 -1.126 . . . . 25.0 109.461 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.03 -20.68 63.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.753 -0.592 . . . . 25.0 111.351 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.7 73.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.458 0.647 . . . . 25.0 109.754 174.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.79 -36.07 70.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 m -67.23 -45.01 78.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.992 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -69.21 -31.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 119.883 -0.727 . . . . 25.0 110.52 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.36 -26.45 64.68 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 121.962 -0.462 . . . . 25.0 109.839 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.0 t -84.65 -51.52 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.659 0.743 . . . . 25.0 112.9 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.75 -38.97 7.64 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.956 1.465 . . . . 25.0 114.956 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -18.9 62.28 Favored 'General case' 0 C--O 1.216 -0.678 0 O-C-N 121.897 -0.502 . . . . 25.0 109.878 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -40.72 -25.42 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.249 2.314 . . . . 25.0 117.249 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -78.12 11.06 2.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -20.58 61.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.386 0.674 . . . . 25.0 111.813 173.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.8 128.23 34.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.59 0.709 . . . . 25.0 110.009 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.47 77.99 3.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.889 1.328 . . . . 25.0 109.942 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.307 -1.281 0 CA-C-N 113.082 -1.872 . . . . 25.0 114.001 178.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.271 0 N-CA-C 111.139 -0.784 . . . . 25.0 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -74.24 151.57 39.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 25.0 110.165 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.07 -40.72 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.039 0.447 . . . . 25.0 110.436 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -30.5 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.74 0.645 . . . . 25.0 112.74 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.0 -24.77 35.24 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 120.165 -0.614 . . . . 25.0 112.235 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -71.49 -20.35 62.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.277 -1.009 . . . . 25.0 108.277 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.519 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.74 -53.17 58.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -32.57 69.76 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.21 0.459 . . . . 25.0 111.706 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.74 -33.38 70.18 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 122.845 0.458 . . . . 25.0 111.691 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 52.2 p -72.72 -39.51 66.87 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.87 -0.519 . . . . 25.0 110.841 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -36.49 80.5 Favored 'General case' 0 C--O 1.207 -1.149 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.81 -39.42 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -45.99 80.15 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.273 0.358 . . . . 25.0 111.161 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.81 -30.98 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -66.24 -60.56 2.67 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 122.301 1.048 . . . . 25.0 110.612 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -70.77 -15.35 62.67 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 113.939 -1.482 . . . . 25.0 111.618 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.88 74.42 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.02 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -115.88 5.02 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.4 p -76.15 166.51 23.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.458 1.281 . . . . 25.0 114.458 -173.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.15 0.58 55.96 Favored Glycine 0 CA--C 1.506 -0.475 0 CA-C-N 115.436 -0.802 . . . . 25.0 112.549 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -64.82 -41.78 95.48 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -98.94 41.91 1.12 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 124.936 2.303 . . . . 25.0 115.226 -173.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.55 -30.82 6.55 Favored Glycine 0 C--N 1.289 -2.08 0 CA-C-N 112.557 -2.11 . . . . 25.0 115.139 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -137.44 156.29 48.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.619 0.709 . . . . 25.0 112.728 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -16.66 58.89 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -175.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.79 5.03 49.66 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 108.898 -0.779 . . . . 25.0 108.898 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -127.26 156.84 41.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.657 -1.238 . . . . 25.0 107.657 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 28' ' ' LEU . 3.5 mt -157.22 157.77 34.95 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 106.187 -1.782 . . . . 25.0 106.187 175.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -81.0 153.39 27.46 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -58.09 -40.49 81.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.208 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.67 -39.14 90.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.58 -39.1 88.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.506 0.669 . . . . 25.0 109.524 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.29 -38.91 92.73 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.63 -0.713 . . . . 25.0 110.06 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.43 -36.24 83.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.681 0.276 . . . . 25.0 110.287 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -46.47 44.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -177.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.38 -30.6 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.237 -0.585 . . . . 25.0 110.481 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.71 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.935 -0.478 . . . . 25.0 110.206 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.25 -22.41 41.74 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.926 -0.71 . . . . 25.0 111.033 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.3 57.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.714 0.292 . . . . 25.0 110.56 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.95 -45.12 6.4 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.882 1.068 . . . . 25.0 113.882 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -66.1 0.93 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.774 -173.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.1 t 40.38 41.48 1.05 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.644 0.979 . . . . 25.0 113.644 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.19 -43.89 0.07 OUTLIER Glycine 0 C--O 1.223 -0.563 0 N-CA-C 112.088 -0.405 . . . . 25.0 112.088 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.6 OUTLIER -70.82 -18.07 62.74 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.207 0.817 . . . . 25.0 113.207 -176.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.9 -21.9 66.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.03 -0.986 . . . . 25.0 110.404 175.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -103.34 -26.67 12.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.054 0.93 . . . . 25.0 109.544 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -73.39 -26.01 60.8 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.129 -0.941 . . . . 25.0 113.398 -177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -64.84 147.31 53.49 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.226 1.01 . . . . 25.0 111.139 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -128.94 -34.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.704 1.001 . . . . 25.0 113.704 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.17 94.28 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.934 0.397 . . . . 25.0 110.695 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.93 -35.21 72.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.653 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.99 -31.53 72.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.316 0.579 . . . . 25.0 111.09 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.63 -56.72 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.944 -0.571 . . . . 25.0 110.002 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.49 -33.31 62.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 -171.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.38 -46.07 84.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.444 0.64 . . . . 25.0 110.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.37 70.97 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.903 -175.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.005 -0.543 . . . . 25.0 110.508 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 37.7 mmt -65.28 -40.09 93.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.435 -0.79 . . . . 25.0 110.331 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -74.18 -19.18 60.63 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.106 -0.637 . . . . 25.0 111.701 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -76.28 -47.43 23.77 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 105.21 -2.145 . . . . 25.0 105.21 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -32.93 72.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.984 -1.007 . . . . 25.0 111.306 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.4 -39.93 89.32 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.448 -0.501 . . . . 25.0 112.228 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -84.22 -29.97 26.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.824 0.821 . . . . 25.0 111.417 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -101.87 7.24 41.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.144 -0.934 . . . . 25.0 112.911 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.64 65.9 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 119.883 -0.399 . . . . 25.0 114.084 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.09 4.56 33.56 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.485 0.314 . . . . 25.0 111.64 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.04 -170.68 39.94 Favored Glycine 0 N--CA 1.436 -1.309 0 N-CA-C 106.663 -2.575 . . . . 25.0 106.663 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.63 149.29 52.55 Favored 'General case' 0 C--N 1.309 -1.196 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -173.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 m -144.68 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.432 -1.258 . . . . 25.0 108.397 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -129.97 -174.13 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -57.67 -41.63 81.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.739 0.304 . . . . 25.0 111.211 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -66.1 -41.67 90.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.434 HG12 HG13 ' A' ' 75' ' ' VAL . 67.6 t -60.49 -37.7 75.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.408 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.3 -38.22 73.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.43 -38.05 89.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.238 -0.437 . . . . 25.0 111.695 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 m -76.63 -28.59 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.614 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.431 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.94 -20.53 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.995 -0.441 . . . . 25.0 112.096 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.45 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 mt -78.15 -33.91 50.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.956 -0.565 . . . . 25.0 109.633 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.2 m -66.52 -46.39 76.36 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.51 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.839 -0.801 . . . . 25.0 108.839 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.24 73.45 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 116.33 -0.396 . . . . 25.0 111.241 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.85 -44.37 23.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -105.07 -49.74 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -171.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.83 -16.28 61.14 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.612 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 6.1 p90 -47.19 -15.59 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.376 2.361 . . . . 25.0 117.376 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -78.37 10.93 2.69 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.604 0.762 . . . . 25.0 111.351 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.51 -15.53 50.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.52 0.728 . . . . 25.0 112.207 176.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -67.65 138.49 56.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.512 0.672 . . . . 25.0 110.543 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -74.3 132.18 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.46 -0.781 . . . . 25.0 110.952 -178.342 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.889 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.273 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -105.33 -179.42 3.94 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 108.544 -0.909 . . . . 25.0 108.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.85 -26.9 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -28.84 70.32 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.878 0.696 . . . . 25.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.55 -22.86 40.4 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.804 0.729 . . . . 25.0 112.17 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -22.16 62.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.349 0.595 . . . . 25.0 110.573 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -58.75 6.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -32.96 63.6 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.49 -36.38 71.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.154 0.502 . . . . 25.0 111.638 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 42.7 p -73.36 -39.96 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.551 . . . . 25.0 111.43 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.78 -36.19 82.85 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.61 -38.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.91 78.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.855 0.097 . . . . 25.0 111.255 -177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.25 -31.32 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 121.17 0.509 . . . . 25.0 112.26 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -71.01 -54.96 9.36 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 122.551 1.167 . . . . 25.0 111.439 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.31 -14.03 62.07 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 113.609 -1.632 . . . . 25.0 110.546 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.95 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -101.83 -13.79 17.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.5 p -63.93 154.06 35.06 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.359 -0.838 . . . . 25.0 109.807 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.2 -16.56 58.03 Favored Glycine 0 C--O 1.224 -0.522 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.37 -31.58 72.85 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -77.48 -25.59 50.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.593 0.711 . . . . 25.0 110.905 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.5 -26.06 5.26 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-O 119.524 -0.598 . . . . 25.0 114.063 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.42 153.42 33.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.015 0.908 . . . . 25.0 111.43 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -19.98 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -113.46 5.04 16.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.765 0.283 . . . . 25.0 111.765 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.22 148.47 43.63 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.559 0.695 . . . . 25.0 110.085 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -155.89 149.55 25.03 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 106.981 -1.489 . . . . 25.0 106.981 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 68' ' ' GLU . 96.3 p -75.29 151.94 38.27 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.908 -177.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -59.25 -43.84 92.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 120.94 -0.304 . . . . 25.0 111.246 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -55.56 -39.22 70.36 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -65.81 -36.52 83.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.307 0.575 . . . . 25.0 111.137 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.39 -37.11 85.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.205 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -67.62 -32.78 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.269 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.47 -47.39 23.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.601 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.22 -29.98 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.828 -0.545 . . . . 25.0 110.83 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -44.43 94.66 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.941 -0.474 . . . . 25.0 109.88 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -80.25 -22.42 41.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.85 -0.74 . . . . 25.0 111.361 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -27.77 60.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.569 0.211 . . . . 25.0 111.569 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.82 -44.97 5.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.955 0.724 . . . . 25.0 112.955 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -62.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.241 0.46 . . . . 25.0 112.241 -172.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.1 p 44.53 34.37 1.09 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.884 1.438 . . . . 25.0 114.884 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.07 -48.65 0.06 OUTLIER Glycine 0 C--O 1.224 -0.479 0 CA-C-O 121.779 0.655 . . . . 25.0 112.891 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -12.26 60.53 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 121.676 -0.896 . . . . 25.0 113.384 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.68 -24.42 67.0 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.232 -0.894 . . . . 25.0 108.985 175.508 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -86.91 -36.53 18.33 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.59 -7.3 19.37 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 113.404 -1.725 . . . . 25.0 114.259 -172.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.6 mt-30 -74.45 114.03 12.37 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.903 -0.498 . . . . 25.0 109.929 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -107.05 -19.32 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.268 -0.27 . . . . 25.0 111.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -84.3 83.25 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 172.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.47 -34.66 68.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.579 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.15 -30.32 70.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.261 0.553 . . . . 25.0 110.983 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.98 -58.64 3.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 48' ' ' GLN . 21.9 m -66.71 -29.4 46.28 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -172.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.12 -41.93 99.44 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -32.08 64.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.552 -0.749 . . . . 25.0 111.963 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.65 -41.0 17.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 122.712 0.405 . . . . 25.0 111.261 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 92.4 mtp -64.5 -39.79 94.45 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.221 -0.924 . . . . 25.0 109.322 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -72.21 -29.24 63.78 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.219 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.76 -44.86 84.61 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 106.253 -1.758 . . . . 25.0 106.253 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -29.45 70.69 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.707 -1.133 . . . . 25.0 110.559 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -71.95 -34.87 69.36 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.359 -0.838 . . . . 25.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -79.72 -36.5 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.3 1.048 . . . . 25.0 110.389 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -101.72 3.55 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.168 -1.378 . . . . 25.0 113.336 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.4 -27.83 70.09 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.62 -0.718 . . . . 25.0 114.284 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.76 -1.71 39.91 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.459 0.153 . . . . 25.0 111.335 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.08 -171.38 32.49 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 108.696 -1.762 . . . . 25.0 108.696 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -130.79 150.03 52.15 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 113.361 -1.419 . . . . 25.0 114.48 -171.106 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.13 -179.24 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 113.965 -1.471 . . . . 25.0 111.041 -170.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.92 -174.22 3.25 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -56.94 -39.54 74.72 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.37 -35.91 81.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.81 -34.46 75.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.319 0.58 . . . . 25.0 110.68 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -69.83 -44.59 69.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.515 -0.741 . . . . 25.0 111.048 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -31.63 51.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.883 -0.51 . . . . 25.0 112.12 -177.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -81.69 -27.4 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.111 -0.993 . . . . 25.0 110.208 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.78 -29.45 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.51 -33.14 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 118.876 -1.13 . . . . 25.0 109.494 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.83 63.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.808 -0.557 . . . . 25.0 111.441 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.32 72.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.472 0.653 . . . . 25.0 109.29 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.93 -34.27 62.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -67.13 -45.99 75.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.69 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.12 -33.66 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.057 -0.657 . . . . 25.0 110.532 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.14 -27.31 61.59 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 122.169 -0.332 . . . . 25.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.2 t -85.53 -54.64 4.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.023 0.916 . . . . 25.0 112.675 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -96.6 -46.44 6.32 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 114.484 -1.234 . . . . 25.0 113.528 -168.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.318 3.4 m120 -69.21 -20.61 63.97 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.783 -1.099 . . . . 25.0 111.698 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 23.9 t80 -42.39 -17.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.767 2.136 . . . . 25.0 116.767 -175.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -82.7 10.05 8.36 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-O 121.39 0.614 . . . . 25.0 111.437 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.412 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -57.2 -13.93 3.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 177.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.1 142.54 57.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.472 0.653 . . . . 25.0 110.04 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -72.47 128.21 34.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.618 0.723 . . . . 25.0 110.241 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.319 -0.736 0 N-CA-C 114.353 1.242 . . . . 25.0 114.353 -174.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.422 0 N-CA-C 114.046 0.379 . . . . 25.0 114.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -74.6 155.89 37.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.38 -42.32 75.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.485 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -33.61 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.68 -22.65 50.23 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.006 0.743 . . . . 25.0 113.006 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -72.01 -22.12 61.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.986 -1.116 . . . . 25.0 107.986 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.43 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -51.27 -55.7 16.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.558 0.948 . . . . 25.0 113.558 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -30.91 65.46 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.38 -29.94 70.23 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 122.808 0.443 . . . . 25.0 111.759 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -80.48 -34.27 35.97 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.093 -0.643 . . . . 25.0 111.337 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -34.17 76.26 Favored 'General case' 0 C--O 1.204 -1.292 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.407 HG13 ' CE1' ' B' ' 71' ' ' PHE . 22.4 mt -61.62 -41.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.863 -0.792 . . . . 25.0 108.863 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -45.16 76.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.204 0.315 . . . . 25.0 111.294 -176.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.55 -30.86 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.24 -55.41 10.64 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-O 122.451 1.12 . . . . 25.0 110.47 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -72.3 -14.38 61.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.739 -1.573 . . . . 25.0 111.984 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.88 82.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 173.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -103.94 -12.2 16.99 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.957 1.095 . . . . 25.0 113.957 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -62.72 149.91 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.269 -0.894 . . . . 25.0 110.743 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.29 -12.92 60.22 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 115.639 -0.709 . . . . 25.0 111.536 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -65.63 -29.25 69.8 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.556 -0.379 . . . . 25.0 110.368 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -78.4 -25.59 46.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.508 176.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -23.26 5.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-O 119.269 -0.739 . . . . 25.0 114.327 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.4 154.09 35.61 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.342 1.071 . . . . 25.0 112.23 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -24.23 64.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.171 1.545 . . . . 25.0 115.171 -173.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -108.11 8.24 28.02 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.858 0.361 . . . . 25.0 111.181 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -123.05 148.58 45.43 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 121.448 0.642 . . . . 25.0 111.91 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -156.78 144.32 19.07 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -71.87 152.64 42.45 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.327 -0.233 . . . . 25.0 111.35 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -55.61 -46.54 77.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -55.98 -40.9 73.96 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -64.15 -37.47 87.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.33 0.586 . . . . 25.0 111.405 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.59 -37.29 87.06 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.279 -0.569 . . . . 25.0 110.281 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.06 -31.64 71.43 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.999 -0.371 . . . . 25.0 109.999 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.89 -48.08 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.367 0.267 . . . . 25.0 111.334 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.2 -29.79 66.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.667 -0.645 . . . . 25.0 111.072 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.616 -0.677 . . . . 25.0 110.446 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -80.75 -23.05 39.66 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.628 -0.67 . . . . 25.0 110.539 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -32.71 51.9 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.609 -0.269 . . . . 25.0 111.64 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.34 -44.86 6.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.445 1.276 . . . . 25.0 114.445 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -60.38 1.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.067 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 46.77 27.82 0.73 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.95 -55.11 0.09 OUTLIER Glycine 0 C--N 1.333 0.391 0 CA-C-O 121.442 0.468 . . . . 25.0 113.041 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -21.4 63.75 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 114.452 1.279 . . . . 25.0 114.452 -174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.519 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -60.55 -26.18 66.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.775 -1.102 . . . . 25.0 109.943 176.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -99.83 -20.9 15.96 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.558 1.171 . . . . 25.0 109.44 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.72 -13.71 62.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.59 -1.187 . . . . 25.0 111.551 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.01 144.1 57.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.978 -0.555 . . . . 25.0 111.849 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -127.54 -25.18 3.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.198 0.599 . . . . 25.0 112.518 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -72.73 96.83 2.09 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.962 0.41 . . . . 25.0 110.241 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.22 -36.15 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.967 -0.561 . . . . 25.0 112.396 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.77 -37.57 76.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.196 -1.002 . . . . 25.0 109.913 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.52 62.23 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.49 -36.72 78.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.619 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.02 -46.9 79.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.921 0.391 . . . . 25.0 110.435 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.19 -32.49 59.03 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.12 -40.09 21.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.88 -0.146 . . . . 25.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.8 -41.89 91.35 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 118.926 -1.11 . . . . 25.0 109.578 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -70.72 -24.99 62.75 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 120.256 -0.577 . . . . 25.0 111.686 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.38 -50.18 48.56 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 106.14 -1.8 . . . . 25.0 106.14 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -32.52 73.93 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.921 -1.036 . . . . 25.0 111.165 -177.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -67.83 -34.18 76.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -84.56 -32.89 23.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.91 0.862 . . . . 25.0 111.133 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -102.41 7.83 40.3 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.852 -1.067 . . . . 25.0 113.039 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.64 -32.87 61.92 Favored Glycine 0 C--N 1.321 -0.299 0 N-CA-C 115.494 0.958 . . . . 25.0 115.494 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -81.39 2.56 27.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.067 0.434 . . . . 25.0 111.541 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.67 -163.88 39.78 Favored Glycine 0 N--CA 1.438 -1.219 0 N-CA-C 109.267 -1.533 . . . . 25.0 109.267 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -131.69 146.18 52.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.047 -1.077 . . . . 25.0 113.462 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -147.03 178.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.556 0.742 . . . . 25.0 109.72 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -133.01 -175.02 3.64 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.851 -0.53 . . . . 25.0 110.569 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.407 ' CE1' HG13 ' B' ' 12' ' ' ILE . 71.0 t80 -58.2 -42.2 85.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -61.78 -41.98 98.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.86 -33.79 75.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.43 -0.908 . . . . 25.0 111.443 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.79 -41.67 99.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.145 -0.622 . . . . 25.0 109.51 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.27 -39.43 78.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 111.957 0.355 . . . . 25.0 111.957 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.8 t -70.83 -35.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.61 -36.14 80.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.519 -0.31 . . . . 25.0 111.784 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 m -76.09 -29.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.54 -0.864 . . . . 25.0 108.795 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.98 -20.93 60.19 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.818 -0.551 . . . . 25.0 111.327 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.55 -34.2 75.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -35.59 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -67.17 -48.11 68.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.556 -0.747 . . . . 25.0 111.162 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.73 -33.33 62.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.283 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.03 -25.93 59.1 Favored 'General case' 0 C--O 1.203 -1.354 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.624 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.18 -54.57 4.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.367 0.603 . . . . 25.0 112.52 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -104.71 -32.2 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -166.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.41 -20.99 35.98 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.978 -0.378 . . . . 25.0 109.978 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.584 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 63.5 t80 -40.79 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.681 2.845 . . . . 25.0 118.681 177.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -82.97 10.59 7.59 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 123.768 0.827 . . . . 25.0 111.211 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -57.54 -18.26 18.26 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.031 0.933 . . . . 25.0 112.903 174.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.09 170.02 12.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -86.61 150.82 23.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.894 -0.593 . . . . 25.0 109.543 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.249 1.034 0 N-CA-C 105.861 -1.903 . . . . 25.0 105.861 178.07 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.103 0 CA-C-O 119.257 -0.746 . . . . 25.0 111.392 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -93.88 173.22 7.78 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.431 -0.951 . . . . 25.0 108.431 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.72 -28.69 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 116.839 2.162 . . . . 25.0 116.839 -171.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -33.87 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.744 -0.598 . . . . 25.0 111.333 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.7 -25.12 35.76 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 119.31 -0.956 . . . . 25.0 111.983 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -22.4 66.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 25.0 110.188 174.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -55.83 -52.08 65.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptp -61.2 -25.4 67.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.47 -33.35 75.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.228 0.537 . . . . 25.0 110.543 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.556 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 44.3 p -73.17 -38.37 66.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.123 0.487 . . . . 25.0 110.937 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.52 -37.07 86.26 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.76 -38.5 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.64 -48.21 72.55 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.033 0.208 . . . . 25.0 110.871 -179.073 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 ' ND2' ' A' ' 13' ' ' ASN . 33.7 m -82.99 -30.93 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.192 0.52 . . . . 25.0 112.148 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.61 -57.71 7.5 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 122.427 1.108 . . . . 25.0 110.801 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.64 -17.03 61.7 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.87 -1.513 . . . . 25.0 110.823 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.5 78.08 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.887 -0.725 . . . . 25.0 109.114 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -103.99 -3.73 24.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.544 ' HA ' HD13 ' A' ' 28' ' ' LEU . 60.7 p -72.07 167.18 20.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.62 0.724 . . . . 25.0 112.155 -174.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.29 68.46 Favored Glycine 0 CA--C 1.51 -0.268 0 C-N-CA 120.758 -0.734 . . . . 25.0 111.75 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -62.32 -43.3 99.15 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -102.57 41.63 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 124.783 2.23 . . . . 25.0 115.729 -172.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -30.81 6.53 Favored Glycine 0 C--N 1.287 -2.183 0 CA-C-N 112.73 -2.032 . . . . 25.0 114.909 168.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.59 165.15 25.57 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.283 0.541 . . . . 25.0 110.508 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HE3' ' CZ ' ' A' ' 26' ' ' TYR . 64.8 pttt -93.01 -20.84 20.17 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CZ ' ' HE3' ' A' ' 25' ' ' LYS . 26.1 m-85 -90.54 -14.25 32.98 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.997 0.903 . . . . 25.0 108.62 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -111.93 155.68 23.31 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 113.8 -1.545 . . . . 25.0 107.689 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 19' ' ' SER . 15.9 tp -160.15 149.36 17.53 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -80.73 150.92 29.11 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.381 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 69' ' ' VAL . 32.8 mttm -57.02 -38.04 72.58 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.772 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -54.83 -41.72 71.05 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.3 0.481 . . . . 25.0 112.3 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.65 -40.19 69.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.226 0.536 . . . . 25.0 110.218 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.59 -39.62 94.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.346 0.593 . . . . 25.0 110.77 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.02 -34.15 77.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.207 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -77.25 -44.41 29.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.706 0.261 . . . . 25.0 111.706 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.74 -30.67 69.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.773 -0.58 . . . . 25.0 110.258 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.25 -43.59 97.57 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.97 -23.11 38.99 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.993 -0.683 . . . . 25.0 111.31 -175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -29.16 61.23 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.164 0.29 . . . . 25.0 111.726 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.19 -44.95 5.79 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -62.8 1.57 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.74 -173.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m 46.84 28.89 0.9 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.625 1.343 . . . . 25.0 114.625 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.77 -53.88 0.07 OUTLIER Glycine 0 C--N 1.332 0.309 0 CA-C-O 121.815 0.675 . . . . 25.0 113.305 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.63 -14.58 61.63 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.11 -24.87 67.85 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.139 -0.937 . . . . 25.0 109.308 175.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.5 -29.23 14.01 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 122.687 1.232 . . . . 25.0 108.998 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.39 52.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.234 . . . . 25.0 113.658 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -63.66 140.09 58.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.427 -0.212 . . . . 25.0 110.427 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.94 -25.03 3.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -79.96 89.31 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.37 -34.69 65.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.734 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.68 -36.8 76.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.332 -0.947 . . . . 25.0 110.702 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -53.93 42.2 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.89 -31.97 54.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.211 0.529 . . . . 25.0 110.102 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -76.23 -27.69 56.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.141 -0.482 . . . . 25.0 112.096 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -83.8 -42.15 17.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 122.375 0.27 . . . . 25.0 111.012 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.77 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.448 -0.782 . . . . 25.0 109.783 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -23.87 60.18 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 119.847 -0.741 . . . . 25.0 111.925 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -74.63 -44.68 49.34 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.001 -1.852 . . . . 25.0 106.001 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -34.79 75.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.065 -0.97 . . . . 25.0 110.429 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.97 -36.36 83.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.04 0.448 . . . . 25.0 111.938 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -84.1 -32.72 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.265 1.031 . . . . 25.0 111.662 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -103.87 4.99 35.48 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.208 -1.36 . . . . 25.0 113.823 -169.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.86 76.88 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 116.336 -0.393 . . . . 25.0 113.778 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.55 5.17 40.59 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.429 0.529 . . . . 25.0 112.429 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.72 -163.6 39.52 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 106.885 -2.486 . . . . 25.0 106.885 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.96 146.3 40.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.449 -0.875 . . . . 25.0 112.004 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 30' ' ' LYS . 15.4 m -148.55 -178.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.244 -1.344 . . . . 25.0 108.795 -173.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.53 -174.17 3.22 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.296 0.498 . . . . 25.0 111.655 -174.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.83 -39.85 71.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.0 -36.76 85.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.75 -37.42 76.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.412 0.625 . . . . 25.0 110.188 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -65.37 -43.0 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 25.0 111.531 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' B' ' 79' ' ' ALA . 1.3 p -62.97 -28.76 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 O-C-N 121.768 -0.582 . . . . 25.0 111.471 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.98 -36.88 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.1 -36.73 82.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.289 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -76.35 -34.14 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 119.362 -0.935 . . . . 25.0 109.105 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.53 -20.56 62.81 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.243 0.461 . . . . 25.0 112.243 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.62 -31.72 71.82 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 25.0 109.371 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.59 -34.91 62.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -46.93 72.88 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -67.22 -33.99 66.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.141 -0.623 . . . . 25.0 110.185 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.36 66.67 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.896 -0.409 . . . . 25.0 109.896 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -79.17 -55.53 5.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.094 0.775 . . . . 25.0 113.094 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -95.21 -44.57 7.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.37 -0.832 . . . . 25.0 113.006 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.48 -0.04 44.6 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.409 -171.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 43.7 t80 -53.45 -16.5 1.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 116.214 1.931 . . . . 25.0 116.214 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -84.53 9.68 12.94 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.581 0.752 . . . . 25.0 111.545 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.404 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -57.07 -9.54 0.91 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.35 1.241 . . . . 25.0 114.35 176.64 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -62.33 147.77 47.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.102 0.477 . . . . 25.0 110.037 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -94.72 116.37 28.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.225 1.012 . . . . 25.0 109.414 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.312 -1.037 0 CA-C-N 113.408 -1.724 . . . . 25.0 114.861 -173.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.349 0 CA-C-O 120.293 -0.17 . . . . 25.0 112.684 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -74.02 150.05 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.52 0.676 . . . . 25.0 110.448 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.3 -35.72 81.76 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.194 -0.669 . . . . 25.0 109.194 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -31.29 71.87 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.417 0.895 . . . . 25.0 113.417 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.24 -26.93 32.79 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.556 -0.715 . . . . 25.0 110.796 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 14.5 m -69.86 -22.65 63.23 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.556 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.39 -54.3 45.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.428 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.0 ptp -61.8 -24.02 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.848 0.685 . . . . 25.0 112.848 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.36 -31.23 72.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.595 0.712 . . . . 25.0 110.378 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 38.9 p -75.77 -39.73 56.56 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.878 -0.514 . . . . 25.0 110.728 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -35.75 81.94 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.53 -41.49 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -43.64 78.47 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 123.259 0.35 . . . . 25.0 111.129 -175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 m -86.79 -30.51 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 113.352 0.871 . . . . 25.0 113.352 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -70.51 -55.39 9.04 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 122.414 1.102 . . . . 25.0 110.856 -175.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -71.27 -14.42 62.22 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.949 -1.478 . . . . 25.0 111.245 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.13 85.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -103.67 -13.75 16.38 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -61.55 147.71 44.57 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.193 -0.942 . . . . 25.0 110.309 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 -18.46 43.21 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.778 -0.929 . . . . 25.0 110.778 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -64.26 -30.59 71.64 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.668 0.271 . . . . 25.0 110.945 174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.5 -25.95 57.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.702 0.763 . . . . 25.0 111.029 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.27 -25.99 5.34 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.167 -0.54 . . . . 25.0 112.963 -176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -117.33 152.72 34.33 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.531 0.682 . . . . 25.0 111.486 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -20.11 63.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.63 1.344 . . . . 25.0 114.63 -173.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -110.92 5.23 20.31 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 111.89 0.33 . . . . 25.0 111.89 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.5 149.53 43.77 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.601 0.715 . . . . 25.0 110.606 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -154.34 149.3 26.74 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.213 -1.403 . . . . 25.0 107.213 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 68' ' ' GLU . 97.2 p -74.54 154.29 38.69 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.491 -0.484 . . . . 25.0 112.004 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -60.66 -46.28 90.94 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.292 -0.255 . . . . 25.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -55.41 -38.24 68.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.24 -39.7 86.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.588 0.709 . . . . 25.0 110.937 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.67 -38.87 92.04 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.466 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -64.54 -32.65 74.38 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.231 -0.293 . . . . 25.0 110.751 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.26 -48.16 30.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.568 0.223 . . . . 25.0 111.547 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.37 -28.13 63.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 25.0 110.917 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.41 -48.34 78.23 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 121.733 -0.604 . . . . 25.0 110.222 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -75.57 -22.5 56.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.559 -0.713 . . . . 25.0 111.706 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -26.29 57.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.169 0.293 . . . . 25.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -109.46 -44.8 3.82 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.333 1.605 . . . . 25.0 115.333 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 44' ' ' PHE . 0.7 OUTLIER -62.98 -61.28 2.5 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -174.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m 41.98 32.04 0.27 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 117.132 2.271 . . . . 25.0 117.132 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.13 -57.7 0.06 OUTLIER Glycine 0 C--N 1.336 0.567 0 CA-C-O 122.639 1.133 . . . . 25.0 112.688 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 60.0 m-85 -75.51 -10.02 59.08 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 115.009 1.485 . . . . 25.0 115.009 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.548 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -64.75 -22.12 66.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.899 -1.501 . . . . 25.0 109.645 173.182 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -102.01 -36.87 8.44 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -72.46 -3.78 26.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 116.113 1.894 . . . . 25.0 116.113 -174.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.448 ' HG2' ' H ' ' B' ' 48' ' ' GLN . 3.2 pt20 -73.88 145.33 44.91 Favored 'General case' 0 N--CA 1.392 -3.331 0 C-N-CA 123.095 0.558 . . . . 25.0 110.856 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -125.62 -28.18 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.07 89.56 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.91 -34.25 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.201 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -68.24 -38.32 81.69 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.687 -0.805 . . . . 25.0 110.349 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.61 -54.22 30.81 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.09 -36.39 76.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.021 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.1 -47.52 79.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.186 0.517 . . . . 25.0 110.764 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -70.84 -27.27 63.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.239 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -78.79 -44.81 25.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.571 -0.529 . . . . 25.0 109.571 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 43.2 mtm -61.99 -42.6 99.32 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 119.507 -0.877 . . . . 25.0 110.819 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -72.19 -28.97 63.55 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.969 -0.56 . . . . 25.0 111.646 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -67.89 -43.72 78.67 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -33.42 74.45 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.145 -0.934 . . . . 25.0 109.931 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -68.19 -34.27 75.98 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.581 -0.7 . . . . 25.0 112.51 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.86 -35.3 32.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.116 0.96 . . . . 25.0 110.506 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -102.13 7.6 40.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.374 -1.284 . . . . 25.0 113.057 -171.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.25 -28.4 69.13 Favored Glycine 0 CA--C 1.503 -0.66 0 CA-C-N 115.952 -0.567 . . . . 25.0 114.512 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -0.65 34.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.28 -168.62 35.9 Favored Glycine 0 N--CA 1.433 -1.506 0 N-CA-C 108.518 -1.833 . . . . 25.0 108.518 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -137.3 154.96 49.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 113.498 -1.351 . . . . 25.0 113.972 -171.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.48 -179.05 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 114.143 -1.39 . . . . 25.0 111.151 -171.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.98 -174.45 3.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.971 0.35 . . . . 25.0 110.894 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -57.96 -42.64 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.944 0.35 . . . . 25.0 111.944 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -64.28 -39.68 94.41 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.5 -31.99 70.58 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.508 -0.877 . . . . 25.0 110.987 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -64.65 -42.92 95.08 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.839 -0.744 . . . . 25.0 109.563 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -57.58 -42.74 81.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.932 -0.577 . . . . 25.0 112.482 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.85 -25.25 14.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 120.834 -1.166 . . . . 25.0 110.286 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.53 -28.53 67.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 25.0 109.918 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.6 m -84.02 -32.88 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 118.823 -1.151 . . . . 25.0 108.984 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.997 0.739 . . . . 25.0 112.997 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.96 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.16 0.505 . . . . 25.0 109.7 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.29 -33.72 49.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.533 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -44.72 87.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.36 -33.9 62.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 119.794 -0.762 . . . . 25.0 109.48 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.71 -31.86 71.25 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 122.062 -0.399 . . . . 25.0 110.124 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.09 -49.68 13.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -104.22 -40.32 6.18 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -21.07 63.11 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 122.061 -0.399 . . . . 25.0 110.367 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 0.3 OUTLIER -44.13 -22.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.897 2.184 . . . . 25.0 116.897 179.353 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -76.32 10.62 1.92 Allowed 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.635 -0.666 . . . . 25.0 112.28 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.498 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -62.02 -13.9 30.38 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.668 0.787 . . . . 25.0 111.405 171.047 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.04 142.97 57.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.648 0.737 . . . . 25.0 110.915 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -94.45 150.14 20.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.991 -0.549 . . . . 25.0 109.86 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.252 1.207 0 CA-C-O 115.747 -2.073 . . . . 25.0 106.168 176.214 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.612 -0.595 . . . . 25.0 111.612 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' B' ' 40' ' ' GLU . 42.7 t -106.4 158.91 16.54 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 122.97 0.508 . . . . 25.0 111.001 -177.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -26.42 68.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 170.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -31.31 70.94 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -79.15 -30.11 43.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -21.91 62.89 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.13 -54.63 32.93 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.48 -28.14 66.75 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.766 0.654 . . . . 25.0 112.766 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' ILE . 28.0 mm-40 -65.99 -30.18 70.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.266 0.555 . . . . 25.0 110.649 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.584 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 39.2 p -74.46 -37.79 63.14 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.661 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -37.05 85.64 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.672 -0.862 . . . . 25.0 108.672 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 9' ' ' GLU . 70.1 mt -63.12 -38.92 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -46.21 74.87 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.977 0.173 . . . . 25.0 111.25 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -84.84 -31.66 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 112.491 0.552 . . . . 25.0 112.491 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -65.62 -55.98 14.69 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.404 1.097 . . . . 25.0 110.557 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -74.22 -15.99 60.98 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.756 -1.565 . . . . 25.0 111.25 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.22 -37.64 81.07 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.163 -0.615 . . . . 25.0 109.621 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -100.01 -0.92 38.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 112.169 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -69.11 157.37 37.0 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.99 -3.85 58.74 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 114.934 -1.03 . . . . 25.0 112.67 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -68.31 -24.78 64.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.349 -0.501 . . . . 25.0 109.687 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -82.56 -27.44 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.516 0.674 . . . . 25.0 109.909 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.57 -30.14 4.31 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.505 -0.77 . . . . 25.0 111.827 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -112.04 155.88 23.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 112.178 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -77.26 -27.63 53.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.397 1.079 . . . . 25.0 112.723 -172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -103.93 9.09 36.85 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.471 -1.241 . . . . 25.0 110.822 -171.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -135.36 157.63 46.42 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-N 114.221 -1.354 . . . . 25.0 107.872 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 28' ' ' LEU . 5.1 mt -157.15 153.1 27.18 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 173.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -71.28 153.02 42.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -56.27 -41.86 76.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.078 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -60.65 -37.87 82.95 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -63.79 -38.14 89.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.444 0.64 . . . . 25.0 109.942 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.53 -37.07 84.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.575 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -65.93 -35.59 81.04 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.91 -46.45 44.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.77 -28.69 63.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.788 -0.57 . . . . 25.0 111.469 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.18 -43.93 96.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.797 -0.564 . . . . 25.0 109.79 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.03 -22.34 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.816 -0.754 . . . . 25.0 111.331 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -25.58 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.628 -0.429 . . . . 25.0 111.556 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.07 -45.22 4.58 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -64.11 1.22 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.08 0.4 . . . . 25.0 112.08 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m 43.89 30.16 0.37 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.28 -55.51 0.1 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.719 0.622 . . . . 25.0 113.241 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -20.92 62.77 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 113.833 1.049 . . . . 25.0 113.833 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.63 -24.79 67.94 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.023 -0.99 . . . . 25.0 110.408 177.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -96.28 -21.96 17.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 122.74 1.257 . . . . 25.0 108.912 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.74 4.33 14.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.246 -1.343 . . . . 25.0 111.947 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -78.92 114.24 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 25.0 110.861 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.32 -26.81 19.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.298 -0.41 . . . . 25.0 110.436 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.53 94.76 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.53 0.681 . . . . 25.0 111.241 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.88 -33.69 63.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.133 -0.939 . . . . 25.0 111.383 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.8 -40.49 83.87 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.377 -0.929 . . . . 25.0 109.91 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.18 -50.15 67.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.314 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.9 -31.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 120.584 -0.447 . . . . 25.0 110.466 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.82 -25.32 58.94 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 121.889 -0.507 . . . . 25.0 111.291 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -83.54 -43.41 15.75 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.135 -0.353 . . . . 25.0 111.257 176.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -82.9 -37.38 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.323 0.861 . . . . 25.0 113.323 -172.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.4 mmm -64.26 -43.51 94.63 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 118.918 -1.113 . . . . 25.0 109.255 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 56' ' ' LYS . 18.8 pttp -70.38 -27.44 64.31 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.507 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -49.58 66.29 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.944 -1.873 . . . . 25.0 105.944 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -29.77 70.56 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.211 -0.904 . . . . 25.0 111.445 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.32 -34.2 74.29 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.604 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -88.94 -28.66 20.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.621 0.724 . . . . 25.0 112.552 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -108.13 6.87 27.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.968 -1.015 . . . . 25.0 113.091 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.0 -32.15 66.21 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 114.532 0.573 . . . . 25.0 114.532 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.33 6.74 28.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.86 -160.56 35.05 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.311 -1.916 . . . . 25.0 108.311 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.51 145.44 51.16 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -173.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 m -147.84 177.1 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.422 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.65 -174.21 3.24 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.211 -0.306 . . . . 25.0 110.793 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.16 -41.47 75.5 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -65.85 -39.22 90.57 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.16 -29.33 67.32 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.407 -0.808 . . . . 25.0 110.804 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -68.94 -41.55 77.92 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.434 -0.791 . . . . 25.0 108.996 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.754 HG13 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -56.2 -38.62 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.495 -0.775 . . . . 25.0 111.875 175.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.58 -40.16 79.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 25.0 108.663 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.79 -35.51 80.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.048 -175.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.36 -34.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 119.403 -0.919 . . . . 25.0 108.982 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -20.58 61.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.017 -0.427 . . . . 25.0 111.621 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.24 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.381 0.61 . . . . 25.0 109.368 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.58 -37.27 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -43.51 75.42 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.004 -0.544 . . . . 25.0 111.977 -178.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.39 -33.21 56.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.487 -0.885 . . . . 25.0 110.18 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.96 -25.0 61.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 120.103 -0.639 . . . . 25.0 109.344 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.6 t -84.27 -48.56 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -109.95 -35.61 6.1 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.039 1.496 . . . . 25.0 115.039 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -20.8 61.75 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.502 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 2.7 t80 -42.59 -20.9 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.558 2.059 . . . . 25.0 116.558 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -79.14 10.73 3.29 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.588 -0.695 . . . . 25.0 112.499 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.502 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -62.69 -17.57 60.87 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.05 0.94 . . . . 25.0 111.787 172.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -98.79 -178.92 4.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -82.84 77.82 9.53 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 124.58 2.133 . . . . 25.0 108.067 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.3 -1.582 0 CA-C-N 109.77 -3.377 . . . . 25.0 109.928 -178.466 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.346 0 N-CA-C 112.238 -0.345 . . . . 25.0 112.238 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -74.0 158.19 34.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.359 0.599 . . . . 25.0 110.181 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.05 -36.67 83.87 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.648 -0.657 . . . . 25.0 110.081 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -31.96 73.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.927 1.084 . . . . 25.0 113.927 -175.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.23 -30.51 54.58 Favored 'General case' 0 C--N 1.317 -0.838 0 O-C-N 121.491 -0.756 . . . . 25.0 111.669 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 10.2 m -71.27 -20.34 62.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.46 -56.27 18.34 Favored 'General case' 0 N--CA 1.442 -0.853 0 O-C-N 121.394 -0.816 . . . . 25.0 112.219 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.3 ptp -60.38 -26.36 66.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -63.84 -32.84 74.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.336 0.589 . . . . 25.0 110.632 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.545 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 51.2 p -74.2 -39.14 63.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.414 -0.514 . . . . 25.0 111.056 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.9 -37.62 88.25 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 175.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.45 -40.87 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -45.62 72.66 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.975 0.172 . . . . 25.0 111.349 -177.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.3 -31.07 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.66 -57.5 7.95 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 122.475 1.131 . . . . 25.0 110.749 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.75 -19.81 63.52 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.88 -1.509 . . . . 25.0 110.689 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.8 94.37 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.234 -0.587 . . . . 25.0 110.797 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -97.08 -0.99 46.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.44 -0.346 . . . . 25.0 111.604 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -65.42 152.79 43.05 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.33 -7.48 54.23 Favored Glycine 0 C--O 1.222 -0.62 0 CA-C-N 115.39 -0.823 . . . . 25.0 113.031 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -67.92 -19.51 65.0 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 122.564 -0.374 . . . . 25.0 111.118 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.31 -26.37 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.418 0.627 . . . . 25.0 110.731 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.53 -28.91 4.62 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -121.03 157.39 30.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 171.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -93.26 -15.32 25.97 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -90.44 6.17 44.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.825 1.298 . . . . 25.0 108.617 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -134.51 159.37 41.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.025 -1.898 . . . . 25.0 107.388 -173.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.9 mt -158.81 149.47 19.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 171.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.0 p -70.59 151.2 45.27 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -56.06 -41.39 75.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.449 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -59.66 -38.84 82.55 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -63.52 -38.56 91.6 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.335 0.588 . . . . 25.0 109.787 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.47 -37.54 85.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -68.18 -32.46 72.73 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.989 -0.445 . . . . 25.0 110.365 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.91 -45.34 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.853 -0.158 . . . . 25.0 111.007 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.44 -29.41 64.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.725 -0.61 . . . . 25.0 110.664 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.37 -42.04 98.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.615 -0.678 . . . . 25.0 110.112 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.53 -22.65 40.66 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.333 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -32.47 55.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.745 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 6.9 mm-40 -101.24 -45.27 5.41 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 115.447 1.647 . . . . 25.0 115.447 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 -66.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.169 -176.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 40.85 34.59 0.28 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.008 1.484 . . . . 25.0 115.008 -173.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.9 -56.69 0.08 OUTLIER Glycine 0 C--O 1.222 -0.607 0 CA-C-O 121.507 0.504 . . . . 25.0 113.377 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.14 -23.2 63.94 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.557 0.947 . . . . 25.0 113.557 -173.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.469 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.18 -23.64 66.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.841 -1.072 . . . . 25.0 110.661 178.224 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -106.73 5.51 28.8 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.349 1.071 . . . . 25.0 109.583 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.44 5.59 27.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.231 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.57 121.05 24.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.38 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -92.72 -30.1 15.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.02 -0.537 . . . . 25.0 110.584 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -74.4 99.37 3.5 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.281 0.562 . . . . 25.0 112.074 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.94 -34.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.558 -0.746 . . . . 25.0 112.339 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.64 -37.79 76.9 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.22 -0.992 . . . . 25.0 109.703 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.35 61.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.56 -36.14 76.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.407 -0.517 . . . . 25.0 110.812 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -66.65 -45.29 79.49 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.575 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -77.18 -31.55 55.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.3 t -82.63 -39.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.731 -0.213 . . . . 25.0 111.329 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -66.32 -41.32 89.82 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 118.807 -1.157 . . . . 25.0 108.717 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.46 62.49 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 178.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.03 -52.05 12.03 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 105.954 -1.869 . . . . 25.0 105.954 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -34.74 78.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.21 -0.904 . . . . 25.0 111.376 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -88.18 -30.53 19.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.72 0.771 . . . . 25.0 112.203 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -103.03 8.21 38.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 25.0 112.712 -171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.15 64.97 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 114.597 0.599 . . . . 25.0 114.597 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -84.06 5.35 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.989 0.395 . . . . 25.0 111.858 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.94 -159.6 34.68 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.909 -1.676 . . . . 25.0 108.909 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -133.38 147.48 51.79 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 -173.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -147.11 175.78 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -126.66 -174.12 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.76 -42.41 83.96 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -62.66 -42.0 99.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.41 -27.21 66.0 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.788 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -68.08 -42.14 80.82 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.809 -0.756 . . . . 25.0 109.191 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.754 HG12 HG13 ' A' ' 75' ' ' VAL . 67.4 t -61.63 -35.11 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.109 177.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 82.4 t -69.93 -39.54 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 121.537 -0.727 . . . . 25.0 109.338 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.45 -36.06 82.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.755 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -76.64 -31.88 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 119.325 -0.95 . . . . 25.0 108.872 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.12 -20.75 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.819 -0.551 . . . . 25.0 112.338 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.16 -33.58 72.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.18 -35.66 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -66.72 -46.78 74.39 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.49 -35.02 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.055 -0.658 . . . . 25.0 109.652 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.3 -26.28 55.68 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.595 -0.442 . . . . 25.0 110.909 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 t -86.45 -44.13 12.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.698 0.629 . . . . 25.0 112.698 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -116.91 -34.81 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -77.88 -15.89 58.68 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 119.245 -0.407 . . . . 25.0 111.113 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.599 ' HA ' ' CE2' ' B' ' 90' ' ' TRP . 3.7 p90 -46.16 -15.72 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 117.056 2.243 . . . . 25.0 117.056 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.65 10.92 2.84 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 123.777 0.831 . . . . 25.0 111.131 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.599 ' CE2' ' HA ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.68 -17.41 55.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 25.0 112.088 177.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.46 139.84 57.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -73.66 130.31 39.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.272 -0.571 . . . . 25.0 109.492 -175.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 115.937 -1.983 . . . . 25.0 105.938 179.313 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.803 0 N-CA-C 110.989 -0.844 . . . . 25.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -89.33 152.12 21.71 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -28.87 70.28 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.823 -0.351 . . . . 25.0 110.305 174.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -27.3 69.19 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.43 -34.3 58.77 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 121.535 0.684 . . . . 25.0 112.016 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -22.48 62.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.567 0.699 . . . . 25.0 109.361 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -51.18 -59.06 4.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.979 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ptp -59.1 -27.28 65.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.59 -32.89 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.418 0.627 . . . . 25.0 110.933 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.588 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 43.8 p -75.54 -36.95 60.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.01 0.433 . . . . 25.0 111.37 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -38.44 90.57 Favored 'General case' 0 C--O 1.204 -1.317 0 N-CA-C 107.519 -1.289 . . . . 25.0 107.519 175.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.53 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.629 -0.508 . . . . 25.0 109.629 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' ND2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -54.21 -47.44 72.11 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 119.754 -0.165 . . . . 25.0 111.285 -178.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG13 ' ND2' ' A' ' 13' ' ' ASN . 34.3 m -83.64 -31.24 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.383 0.611 . . . . 25.0 112.392 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.87 -56.73 11.65 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.641 1.21 . . . . 25.0 110.927 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.31 -18.04 61.81 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.874 -1.512 . . . . 25.0 111.117 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.07 91.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 120.071 -0.651 . . . . 25.0 109.671 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -95.11 -4.5 46.11 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.7 p -61.95 154.88 25.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.23 -2.76 43.68 Favored Glycine 0 C--O 1.222 -0.615 0 CA-C-N 115.037 -0.983 . . . . 25.0 113.186 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -66.16 -33.65 76.26 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.318 0.58 . . . . 25.0 109.788 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -77.25 -29.47 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.722 -1.126 . . . . 25.0 110.991 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.71 -30.83 4.1 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.149 -0.78 . . . . 25.0 111.149 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.43 166.34 11.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.242 0.544 . . . . 25.0 109.8 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -84.23 -35.25 23.58 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 123.54 0.736 . . . . 25.0 111.98 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -95.85 5.02 52.31 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.551 1.167 . . . . 25.0 109.357 -169.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -128.57 152.51 48.23 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 113.372 -1.74 . . . . 25.0 106.774 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.9 mt -153.64 159.23 42.02 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 105.666 -1.976 . . . . 25.0 105.666 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.3 p -82.35 151.28 26.76 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.085 -0.646 . . . . 25.0 109.414 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -57.65 -40.92 80.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.64 0.257 . . . . 25.0 110.857 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -57.84 -37.1 73.27 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -67.42 -41.34 84.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.475 0.655 . . . . 25.0 109.896 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.79 -38.27 90.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.774 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.21 -41.0 87.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.009 0.433 . . . . 25.0 111.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.79 -37.73 24.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.103 -0.499 . . . . 25.0 111.964 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.0 -31.42 70.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.781 -0.768 . . . . 25.0 109.484 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.71 -47.34 84.04 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.909 -0.494 . . . . 25.0 109.883 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -75.87 -22.41 56.21 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.56 -175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -28.78 31.32 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.06 -40.47 9.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.173 0.511 . . . . 25.0 112.212 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -86.88 -62.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.723 -0.671 . . . . 25.0 111.177 -176.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m 49.28 23.09 0.76 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.698 1.74 . . . . 25.0 115.698 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.54 -57.2 0.11 Allowed Glycine 0 C--O 1.226 -0.373 0 CA-C-O 122.009 0.783 . . . . 25.0 112.829 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -71.23 -18.56 62.45 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 114.054 1.131 . . . . 25.0 114.054 -173.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.84 -25.79 68.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.455 176.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -99.02 -21.42 16.23 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.372 1.082 . . . . 25.0 109.143 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.83 -12.65 61.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.014 -0.994 . . . . 25.0 110.994 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.06 142.18 58.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 25.0 110.906 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -125.48 -25.92 3.66 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.751 0.42 . . . . 25.0 111.653 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -73.13 97.2 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.913 0.387 . . . . 25.0 111.295 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.89 -34.02 60.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 122.979 0.511 . . . . 25.0 111.667 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.06 -41.6 81.75 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.063 -1.055 . . . . 25.0 109.799 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.72 68.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.692 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.79 -33.44 61.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.287 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.15 -39.27 68.89 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -37.38 70.84 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.73 -42.11 20.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.025 -0.534 . . . . 25.0 111.11 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.46 -37.18 86.1 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.345 -0.942 . . . . 25.0 109.575 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -25.08 60.46 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 120.373 -0.531 . . . . 25.0 112.152 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -73.58 -48.16 34.91 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -31.57 72.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.329 -0.85 . . . . 25.0 110.958 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -35.68 81.89 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.444 -0.785 . . . . 25.0 112.101 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.34 -29.76 21.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.565 0.698 . . . . 25.0 112.102 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -106.63 3.06 26.45 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.672 0.989 . . . . 25.0 113.672 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -28.72 67.43 Favored Glycine 0 CA--C 1.505 -0.578 0 CA-C-N 116.217 -0.447 . . . . 25.0 113.402 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.82 -1.76 44.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.13 0.418 . . . . 25.0 112.13 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.28 34.25 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 109.156 -1.578 . . . . 25.0 109.156 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.47 145.71 45.06 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 113.144 -1.528 . . . . 25.0 112.926 -170.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -146.1 -178.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.726 -1.125 . . . . 25.0 110.003 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -131.75 -174.26 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.428 0.291 . . . . 25.0 110.881 -173.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 75' ' ' VAL . 24.0 tt0 -66.27 -40.58 90.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.84 -32.61 74.0 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.238 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -66.69 -42.9 85.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.716 -0.615 . . . . 25.0 110.308 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG13 HG12 ' B' ' 75' ' ' VAL . 0.4 OUTLIER -63.97 -29.1 46.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 122.026 -0.421 . . . . 25.0 111.569 -179.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.04 -41.51 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.27 -34.91 78.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.994 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.84 -34.26 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 119.425 -0.91 . . . . 25.0 109.579 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.8 -20.73 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.799 -0.563 . . . . 25.0 111.832 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.44 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.357 0.599 . . . . 25.0 109.518 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.99 -37.72 72.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -44.46 78.19 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.87 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.23 -32.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 119.659 -0.817 . . . . 25.0 110.654 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.52 59.91 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 121.939 -0.476 . . . . 25.0 110.263 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.1 t -83.89 -53.39 5.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.04 0.756 . . . . 25.0 113.04 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -101.55 -43.75 5.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.277 1.214 . . . . 25.0 114.277 -170.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -20.96 64.02 Favored 'General case' 0 C--O 1.208 -1.079 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 83.4 t80 -41.68 -24.21 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 117.593 2.442 . . . . 25.0 117.593 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 66.3 m-85 -81.44 12.43 3.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.581 -0.736 . . . . 25.0 111.732 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -56.63 -24.22 46.59 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.081 0.953 . . . . 25.0 111.139 174.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.59 143.07 40.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.251 0.548 . . . . 25.0 110.171 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.29 128.7 36.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.583 0.706 . . . . 25.0 110.52 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 113.74 1.015 . . . . 25.0 113.74 -175.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.17 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -71.41 146.41 48.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 117.658 0.729 . . . . 25.0 110.138 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.431 -0.793 . . . . 25.0 108.957 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -27.89 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.029 -0.532 . . . . 25.0 112.42 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -82.04 -29.7 31.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.228 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.4 m -67.23 -22.22 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.588 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.83 -55.85 27.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.892 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.6 ptp -62.36 -25.25 67.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.38 -33.04 73.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.61 0.719 . . . . 25.0 110.658 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 40.4 p -74.98 -38.46 61.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.888 -0.508 . . . . 25.0 111.204 -177.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -36.92 84.2 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.12 -40.75 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -45.48 73.92 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.044 0.215 . . . . 25.0 111.381 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.58 -31.24 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.48 -56.11 10.87 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 122.275 1.036 . . . . 25.0 111.876 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -69.52 -18.95 63.72 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.133 -1.394 . . . . 25.0 110.41 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.28 86.06 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.349 -0.54 . . . . 25.0 110.134 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -103.71 2.5 33.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.585 0.587 . . . . 25.0 112.585 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 97.5 p -64.64 155.9 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.539 0.685 . . . . 25.0 112.491 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.05 66.15 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.984 -0.627 . . . . 25.0 112.526 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -60.95 -29.73 69.81 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.788 -0.242 . . . . 25.0 110.726 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -112.2 41.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 124.898 2.285 . . . . 25.0 115.137 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.85 -30.72 6.75 Favored Glycine 0 C--N 1.289 -2.044 0 CA-C-N 112.558 -2.11 . . . . 25.0 116.317 167.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.51 153.86 48.39 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -18.87 62.38 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 115.292 1.59 . . . . 25.0 115.292 -174.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 18.8 m-85 -112.74 9.04 19.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.495 0.664 . . . . 25.0 110.28 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -123.13 152.89 40.68 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -157.54 148.1 21.02 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.859 -1.904 . . . . 25.0 105.859 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -81.15 153.51 27.21 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.339 0.59 . . . . 25.0 111.694 -176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.52 -39.34 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.513 -0.767 . . . . 25.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -55.98 -41.76 75.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.85 -39.83 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.364 0.602 . . . . 25.0 110.5 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.54 -38.04 88.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.138 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -62.19 -38.53 89.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.263 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.26 -39.21 49.04 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.718 -0.393 . . . . 25.0 112.055 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.29 -30.11 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.475 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.95 -43.01 97.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.825 -0.547 . . . . 25.0 110.452 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -78.41 -22.47 47.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.891 -0.506 . . . . 25.0 110.885 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -28.32 29.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -99.28 -45.27 5.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -61.19 1.72 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.253 -175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.25 30.71 2.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.306 1.595 . . . . 25.0 115.306 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.27 -47.58 0.08 OUTLIER Glycine 0 C--O 1.217 -0.958 0 CA-C-O 122.435 1.019 . . . . 25.0 113.718 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.34 -18.43 61.18 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 120.628 -1.513 . . . . 25.0 113.333 -176.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.478 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.72 -24.19 67.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.171 -0.922 . . . . 25.0 110.072 176.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.14 -13.36 14.38 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 122.147 0.975 . . . . 25.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.89 -9.7 58.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.394 177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.69 142.44 58.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.91 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -122.9 -25.86 4.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.576 0.35 . . . . 25.0 111.059 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -72.3 106.29 4.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 25.0 111.502 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.11 -33.94 67.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.38 -0.827 . . . . 25.0 111.966 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.78 -37.17 76.27 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.577 -0.849 . . . . 25.0 109.948 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.45 57.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.61 -37.68 80.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 120.33 -0.548 . . . . 25.0 110.311 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.26 -43.13 78.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.763 -0.585 . . . . 25.0 112.149 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.68 -35.18 58.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 111.771 0.285 . . . . 25.0 111.771 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.13 -36.56 11.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.087 0.403 . . . . 25.0 112.087 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 38.6 mmt -69.25 -36.14 76.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.443 -1.303 . . . . 25.0 109.334 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -71.2 -29.46 65.18 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 119.819 -0.753 . . . . 25.0 110.392 175.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -46.03 67.2 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 -175.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -28.77 70.21 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.589 -0.732 . . . . 25.0 111.132 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.86 -38.77 76.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.225 0.536 . . . . 25.0 111.586 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.43 -36.41 45.6 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 122.205 1.002 . . . . 25.0 110.985 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -105.06 5.43 32.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.998 -1.456 . . . . 25.0 113.942 -168.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.02 -34.1 71.36 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.219 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.64 4.27 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.16 -160.9 36.97 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 108.037 -2.025 . . . . 25.0 108.037 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.28 147.46 38.24 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.288 0.566 . . . . 25.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.65 -178.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.771 -1.104 . . . . 25.0 108.564 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -128.49 -174.03 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 25.0 110.705 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.32 -41.4 79.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -64.7 -39.83 94.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 -177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.28 -31.54 71.06 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.685 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -68.29 -40.76 81.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.722 0.773 . . . . 25.0 108.929 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.491 HG12 HG13 ' A' ' 75' ' ' VAL . 16.1 t -59.87 -37.47 72.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.376 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.52 -38.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.33 -36.56 84.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.04 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -76.3 -32.43 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 119.37 -0.932 . . . . 25.0 109.128 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.73 -20.68 60.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.84 74.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.82 -36.87 70.35 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -45.38 75.28 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 111.81 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 72' ' ' GLN . 35.5 m -69.22 -32.34 53.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 119.88 -0.728 . . . . 25.0 110.527 -177.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.84 66.38 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 38.9 t -83.33 -51.54 7.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -107.83 -32.83 7.45 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.721 1.749 . . . . 25.0 115.721 -168.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.401 ' HB2' ' HA ' ' B' ' 83' ' ' VAL . 0.2 OUTLIER -77.0 -16.0 59.46 Favored 'General case' 0 C--O 1.212 -0.9 0 O-C-N 121.683 -0.636 . . . . 25.0 109.424 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -40.72 -20.72 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 117.323 2.342 . . . . 25.0 117.323 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -81.79 9.75 7.44 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.884 -0.51 . . . . 25.0 112.274 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -12.09 17.55 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.044 1.128 . . . . 25.0 114.044 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.19 150.58 43.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.545 0.688 . . . . 25.0 111.646 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -77.89 133.85 38.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.251 1.158 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 178.606 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.333 0 N-CA-C 111.547 -0.621 . . . . 25.0 111.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -105.71 -175.54 2.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -25.87 20.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.22 71.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.86 -22.52 36.91 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.601 -0.687 . . . . 25.0 112.103 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -22.06 62.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.43 0.633 . . . . 25.0 109.92 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -53.61 -57.06 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -32.2 65.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -177.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.98 -35.18 72.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 70.1 p -72.93 -38.64 66.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.224 0.535 . . . . 25.0 110.854 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -38.45 89.28 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.307 -0.997 . . . . 25.0 108.307 176.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.6 -40.79 85.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -46.54 74.11 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.958 0.161 . . . . 25.0 111.395 -178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.05 -29.65 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.33 -57.41 6.68 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.444 1.116 . . . . 25.0 110.319 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.54 -16.43 62.88 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.865 -1.516 . . . . 25.0 111.634 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.32 89.75 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.448 -0.501 . . . . 25.0 109.809 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -99.8 -6.51 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HG ' ' A' ' 28' ' ' LEU . 56.6 m -63.46 149.8 45.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -173.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.65 -10.31 57.49 Favored Glycine 0 N--CA 1.458 0.149 0 CA-C-N 114.667 -1.151 . . . . 25.0 112.71 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -61.63 -27.08 68.4 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.173 -0.306 . . . . 25.0 110.173 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -116.46 42.08 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 125.091 2.377 . . . . 25.0 114.381 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.09 -30.87 6.33 Favored Glycine 0 C--N 1.291 -1.918 0 CA-C-N 112.408 -2.178 . . . . 25.0 117.389 165.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -129.55 158.82 38.2 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -68.05 -29.47 68.44 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 125.498 1.519 . . . . 25.0 113.88 -174.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -109.94 11.21 24.18 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.128 0.966 . . . . 25.0 110.576 -174.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -130.21 155.13 46.78 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 114.009 -1.451 . . . . 25.0 107.831 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 28' ' ' LEU . 3.7 mt -153.79 169.26 23.79 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -97.25 155.36 16.89 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -56.94 -41.03 77.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 25.0 111.254 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -54.08 -40.1 66.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -69.47 -40.01 77.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.432 0.634 . . . . 25.0 110.576 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.6 -36.97 85.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 25.0 110.726 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.98 -37.9 84.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.661 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -80.31 -43.11 21.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 -175.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.95 -29.85 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.463 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.36 -48.23 76.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -76.44 -22.63 54.39 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.647 -0.658 . . . . 25.0 111.659 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.15 -28.42 54.16 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -100.23 -45.39 5.63 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.553 0.692 . . . . 25.0 112.107 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -60.32 2.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 25.0 110.406 -174.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.04 23.0 0.45 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.34 -57.22 0.11 Allowed Glycine 0 C--O 1.227 -0.301 0 CA-C-O 121.799 0.666 . . . . 25.0 112.736 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -18.96 62.89 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 114.016 1.117 . . . . 25.0 114.016 -173.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD22 ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.27 -25.39 68.3 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.23 -0.895 . . . . 25.0 109.595 176.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -101.42 -16.61 16.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.893 1.33 . . . . 25.0 109.181 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.88 -12.67 61.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.558 -1.201 . . . . 25.0 110.486 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -64.98 124.98 23.48 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.408 -0.36 . . . . 25.0 111.227 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -113.3 -20.57 11.33 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.606 0.362 . . . . 25.0 111.108 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -76.0 94.9 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.396 0.617 . . . . 25.0 111.276 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' HA ' HG22 ' A' ' 54' ' ' VAL . 59.6 t -62.27 -34.72 65.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.608 -0.724 . . . . 25.0 111.007 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.48 -31.34 71.42 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.188 0.518 . . . . 25.0 110.889 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.66 -53.81 7.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.374 . . . . 25.0 110.021 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 51' ' ' VAL . 30.0 m -63.14 -33.85 63.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 C-N-CA 120.548 -0.461 . . . . 25.0 112.026 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.24 -39.14 92.3 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.739 -0.601 . . . . 25.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -35.38 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.4 -38.08 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.5 mmt -69.07 -36.02 77.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 118.605 -1.238 . . . . 25.0 109.762 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -70.95 -30.07 66.27 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.226 -0.59 . . . . 25.0 110.28 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -69.25 -45.7 69.1 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 107.018 -1.475 . . . . 25.0 107.018 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -30.68 71.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.781 -0.645 . . . . 25.0 110.836 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.5 -37.88 77.37 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.067 -0.396 . . . . 25.0 111.711 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -91.53 -13.49 32.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -117.78 8.55 12.74 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.32 -33.18 65.03 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.541 -0.299 . . . . 25.0 113.836 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.78 2.64 41.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.09 -171.74 46.77 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 107.061 -2.416 . . . . 25.0 107.061 174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -126.99 148.54 50.09 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 -172.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.0 174.93 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.358 -1.292 . . . . 25.0 109.964 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.42 -174.09 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -57.42 -37.19 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -67.86 -38.71 83.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.096 0.474 . . . . 25.0 110.134 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.54 -30.04 66.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.754 -0.591 . . . . 25.0 110.075 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.78 -44.68 73.14 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.199 -0.938 . . . . 25.0 110.565 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 79' ' ' ALA . 0.6 OUTLIER -63.4 -31.54 53.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 O-C-N 121.848 -0.532 . . . . 25.0 111.774 -177.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.87 -27.21 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 121.315 -0.866 . . . . 25.0 109.937 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.3 mt -68.02 -28.81 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.024 -0.362 . . . . 25.0 110.024 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -83.62 -32.1 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 118.771 -1.171 . . . . 25.0 109.245 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.46 -20.69 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.136 -0.352 . . . . 25.0 110.896 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.81 76.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.431 0.634 . . . . 25.0 109.74 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -70.76 -38.09 73.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -45.42 77.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 115.562 -0.745 . . . . 25.0 111.524 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 87' ' ' ASN . 33.9 m -70.32 -31.11 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 119.44 -0.904 . . . . 25.0 111.071 -176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.43 60.81 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.405 -0.518 . . . . 25.0 110.273 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 t -91.32 -48.94 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -108.01 -45.76 3.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -169.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -67.95 -20.42 65.06 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' HA ' ' CE2' ' A' ' 90' ' ' TRP . 80.5 t80 -41.23 -21.86 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 117.807 2.521 . . . . 25.0 117.807 175.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 26' ' ' TYR . 59.9 m-85 -85.13 12.05 8.59 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.679 -0.692 . . . . 25.0 111.584 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -58.56 -7.1 0.83 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.325 1.45 . . . . 25.0 113.969 173.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.64 112.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.435 1.112 . . . . 25.0 111.978 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.46 137.42 39.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.008 -0.996 . . . . 25.0 109.716 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -177.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.435 0 N-CA-C 109.64 -1.384 . . . . 25.0 109.64 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -105.57 161.23 14.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.11 -28.65 42.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.53 -26.84 45.87 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.501 -0.749 . . . . 25.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -65.84 -22.16 66.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -54.71 -56.4 19.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -60.47 -25.79 66.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -63.16 -32.97 74.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.712 0.768 . . . . 25.0 110.866 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 44.6 p -75.28 -39.1 60.03 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.925 -0.485 . . . . 25.0 111.191 -177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.9 -37.09 83.72 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 108.169 -1.048 . . . . 25.0 108.169 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' B' ' 16' ' ' HIS . 31.2 mt -59.24 -43.04 88.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -44.1 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.516 0.51 . . . . 25.0 111.627 -176.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 m -86.82 -32.13 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 113.02 0.748 . . . . 25.0 113.02 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.24 -57.79 6.05 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.712 1.244 . . . . 25.0 110.59 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.479 ' HD2' HG23 ' B' ' 12' ' ' ILE . 36.3 m-70 -72.27 -16.06 61.91 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.676 -1.602 . . . . 25.0 112.176 -177.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.92 -36.82 85.21 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.581 -0.448 . . . . 25.0 109.933 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -103.92 -2.3 26.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.257 0.836 . . . . 25.0 113.257 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.74 154.01 40.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.56 -8.33 34.65 Favored Glycine 0 C--O 1.223 -0.562 0 CA-C-N 115.049 -0.978 . . . . 25.0 112.754 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.81 -18.21 62.1 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -28.51 32.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.827 0.822 . . . . 25.0 108.878 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.62 -30.81 3.91 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.797 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.77 155.04 20.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.394 1.097 . . . . 25.0 111.136 170.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -12.49 59.46 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -172.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 19.6 m-85 -110.36 14.74 22.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.926 0.869 . . . . 25.0 109.291 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -135.48 158.32 44.66 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.683 -1.144 . . . . 25.0 108.568 -172.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' B' ' 28' ' ' LEU . 4.4 mt -153.29 163.52 39.75 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 65.4 p -88.58 152.64 21.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 173.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.14 -41.99 80.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 25.0 111.474 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -58.06 -34.67 70.37 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.733 1.012 . . . . 25.0 113.733 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -67.3 -38.48 85.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.561 0.696 . . . . 25.0 110.636 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.87 -36.47 84.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.395 -0.821 . . . . 25.0 110.097 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 ttpp -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.889 -0.141 . . . . 25.0 110.783 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -77.03 -44.33 31.21 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.389 -0.525 . . . . 25.0 112.226 -176.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.71 -31.71 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.011 -0.676 . . . . 25.0 110.394 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.66 -43.65 96.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.091 -0.38 . . . . 25.0 110.616 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -79.25 -22.48 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.732 . . . . 25.0 111.049 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.42 -32.74 37.36 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 123.281 0.363 . . . . 25.0 111.452 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.79 -44.24 8.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.963 0.887 . . . . 25.0 113.367 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.56 -65.52 1.0 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.424 -0.807 . . . . 25.0 111.804 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.3 37.18 1.84 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -177.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.47 -45.3 0.06 OUTLIER Glycine 0 C--O 1.225 -0.426 0 N-CA-C 111.743 -0.543 . . . . 25.0 111.743 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.524 ' HA ' ' HB3' ' B' ' 47' ' ' ALA . 0.4 OUTLIER -71.58 -15.97 62.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.921 -0.752 . . . . 25.0 112.982 -177.035 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.493 HD22 ' C ' ' B' ' 45' ' ' LEU . 0.0 OUTLIER -62.08 -21.46 64.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.23 -0.895 . . . . 25.0 110.436 175.035 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.21 -31.05 10.3 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.667 1.222 . . . . 25.0 109.998 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' B' ' 44' ' ' PHE . . . -68.7 -28.17 66.61 Favored 'General case' 0 C--O 1.213 -0.867 0 CA-C-N 114.999 -1.0 . . . . 25.0 113.353 -177.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.68 138.35 58.34 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.15 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -119.61 -31.5 4.55 Favored 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 123.328 0.651 . . . . 25.0 112.388 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -75.64 92.48 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.071 0.463 . . . . 25.0 110.12 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.88 -33.94 65.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.68 -38.54 80.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.619 -0.833 . . . . 25.0 110.637 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.56 44.19 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.473 -0.566 . . . . 25.0 109.473 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.93 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.755 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.71 -43.73 88.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.458 . . . . 25.0 110.429 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -71.79 -30.06 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.051 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.12 -41.9 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 110.171 -0.307 . . . . 25.0 110.171 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 91.7 mtp -64.72 -39.31 93.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.347 -0.846 . . . . 25.0 110.796 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -26.65 61.4 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 119.756 -0.778 . . . . 25.0 111.299 177.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -46.85 72.5 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.52 -26.0 68.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.892 -1.049 . . . . 25.0 111.811 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.98 -39.79 69.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.53 0.681 . . . . 25.0 111.238 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -79.87 -34.93 38.79 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.326 1.06 . . . . 25.0 110.955 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -105.91 6.21 31.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.061 -1.427 . . . . 25.0 113.391 -169.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.23 -32.5 63.61 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 114.24 0.456 . . . . 25.0 114.24 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -82.51 1.03 39.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.94 -162.76 37.97 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 108.7 -1.76 . . . . 25.0 108.7 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.68 149.94 51.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.95 174.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 114.506 -1.225 . . . . 25.0 109.486 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -128.93 -173.96 3.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.848 -0.797 . . . . 25.0 108.848 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.65 -40.54 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.44 ' HB2' HG11 ' A' ' 83' ' ' VAL . 31.5 tt0 -61.98 -42.83 99.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.936 -0.306 . . . . 25.0 110.469 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.09 -30.4 70.42 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.749 -0.381 . . . . 25.0 110.746 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -67.31 -41.52 85.21 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.034 -0.666 . . . . 25.0 109.472 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.88 -37.48 76.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 25.0 111.663 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.7 -38.15 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.83 -37.38 87.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.987 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -75.84 -29.27 19.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 119.593 -0.843 . . . . 25.0 109.462 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -73.51 -20.68 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.049 -0.407 . . . . 25.0 111.882 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.22 70.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.57 -34.34 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -66.36 -45.84 78.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.818 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.5 -33.55 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.27 -0.572 . . . . 25.0 109.64 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.09 -29.59 68.57 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 122.313 -0.242 . . . . 25.0 110.399 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -84.22 -51.02 7.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -103.81 -34.71 8.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.959 1.466 . . . . 25.0 114.959 -169.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -16.84 60.74 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -40.84 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.978 2.214 . . . . 25.0 116.978 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.54 11.08 2.19 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.805 0.669 . . . . 25.0 112.805 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -15.74 33.49 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.494 0.718 . . . . 25.0 112.565 174.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.43 123.61 22.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.72 129.45 40.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.293 -170.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.252 1.223 0 CA-C-O 115.987 -1.958 . . . . 25.0 106.577 178.257 . . . . . . . . 0 0 . 1 stop_ save_